腺苷-5'-磷酸

腺苷-5'-磷酸 基本信息
CAS号 18422-05-4 分子式 C10H16N5O8P
分子量 365.23700 精确质量 　365.07400
PSA 　205.11000 LogP 　-1.34610
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
18422-05-4
3D弹球模型：
立即前往扯扯看
分子式：
C10H16N5O8P
分子量：
365.23700
中文名称：
腺苷-5'-磷酸
英文名称：
Adenosine 5'-monophosphate monohydrate
中文别名：
腺苷-5'-磷酸;
腺苷-5’-单磷酸一水合物;
腺苷-5'-单磷酸水合物;
5’-磷酸腺苷
英文别名：
Adenosine 5'-monophosphate monohydrate;
A-5'-P;
AMP.H2O;
5'-AMP H2O;
5'-AMP MONOHYDRATE;
5'-AMPH2;
Adenosine 5′-monophosphate monohydrate;
ADENYLIC ACID MONOHYDRATE;
5'-AMP;
AMP monohydrate;
5'-AMP=Adenylicacid
精确分子量/精确质量：
365.07400
极性分子表面积/PSA：
205.11000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00149360
EINECS：
200-500-0
PubChem：
24890637
BRN：
5205540
InChI：
InChI=1/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/t4-,6-,7-,10-;/m1./s1

物化性质展开↓

熔点：
183-188 °C (dec.)(lit.)
沸点：
798.5ºC at 760mmHg
闪点：
436.7ºC
蒸汽压：
6.7E-27mmHg at 25°C
存储条件/存储方法：

-20°C密闭，避光，通风干燥处

稳定性相关：

常温常压下稳定

避免的物料：氧化物

其它信息：

1.       性状：不确定

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：183-188 (dec.)(lit.)

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：-48 º (c=2% in 2% NaOH)

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：H2O: with addition of mild alkalisoluble

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R36/37/38
安全说明：
26-36
RTECS号：
AU7480500
危险标志：
Xi

毒理性展开↓

生态数据：

通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

MSDS 展开↓

Section 1. Chemical Product and Company Identification
    Adenosine-5'-monophosphate
    Common Name/
    Trade Name
    monohydrate
    Adenosine-5'-monophosphate
    monohydrate
Section 3. Hazards Identification
    Potential Acute Health Effects Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation.
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.    
    MUTAGENIC EFFECTS: Not available.
    Effects
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure is not known to aggravate medical condition.
Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Cold water may be used. Get medical attention if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Cold water may be used.
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    
Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
    of Various Substances        Non-explosive in presence of shocks.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    Special Remarks on        As with most organic solids, fire is possible at elevated temperatures. Material in powder form, capable of    
    Fire Hazards        creating a dust explosion.    
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a potential dust
    explosion hazard.
    Hazards
    Adenosine-5'-monophosphate
    monohydrate
Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.
Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe dust. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory
    equipment. If you feel unwell, seek medical attention and show the label when possible. Keep away from
    incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 0°C (32°F).    
    Freeze.
Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    
Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Crystalline solid.)        Odor        Not available.    
    Taste        Not available.    
    365.24 g/mole
    Molecular Weight
    Color        White.    
    pH (1% soln/water)        Not available.    
    Not available.
    Boiling Point
    Melting Point        183°C (361.4°F)    
    Not available.
    Critical Temperature
    Specific Gravity        Not available.    
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Not available.
    Ionicity (in Water)
    Dispersion Properties        Not available.    
    Not available.
    Solubility
    Adenosine-5'-monophosphate
    monohydrate
Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Excess heat, dust generation, incompatible materials    
    Incompatibility with various        Reactive with oxidizing agents.    
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Special Remarks on        Not available.    
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    
Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        May affect genetic material (mutagenic).    
    Chronic Effects on Humans        May cause adverse reproductive effects based on animal test data    
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation    
    Eyes: May cause eye irritaiton.
    Inhalation: May cause respiratory tract irritation.
    Ingestion: May cause digestive tract irritation.
    The toxicological properties of this substance have not been fully investigated.
Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation
    Adenosine-5'-monophosphate
    monohydrate
Section 13. Disposal Considerations
    Waste must be disposed of in accordance with federal, state and local environmental
    Waste Disposal
    control regulations.
Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Special Provisions for        Not applicable.    
    Transport
    DOT (Pictograms)
Section 15. Other Regulatory Information and Pictograms
    Federal and State        No products were found.    
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    Proposition 65        to cause cancer which would require a warning under the statute: No products were found.    
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        EINECS: This product is not listed on the European Inventory of Existing Commercial Chemical Substances    
    Canada: Not listed on Canadian Domestic Substance List (DSL) or Canadian Non-Domestic Substances List
    (NDSL)
    China: Not listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according Not applicable.    
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    Adenosine-5'-monophosphate
    monohydrate
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据

1、   氢键供体数量：6

2、   氢键受体数量：12

3、   可旋转化学键数量：4

4、   互变异构体数量：3

5、   拓扑分子极性表面积（TPSA）：187

6、   重原子数量：24

7、   表面电荷：0

8、   复杂度：481

9、   同位素原子数量：0

10、   确定原子立构中心数量：4

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：2

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