beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐

beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐 基本信息
CAS号 24292-60-2 分子式 C21H28N7O17P3.2Na
分子量 789.38743 精确质量 　789.05500
PSA 　402.71000 LogP 　-0.30280
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目录
基本信息 物化性质 安全信息 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
24292-60-2
分子式：
C21H28N7O17P3.2Na
分子量：
789.38743
中文名称：
beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐
英文名称：
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt
中文别名：
beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐;
氧化型辅酶Ⅱ 二钠;
氧化型辅酶II 二钠;
氧化型辅酶Ⅰ/NAD;
氧化型辅酶II(NADP);
氧化型辅酶II二钠;
辅酶Ⅱ钠盐;
氧化型辅酶Ⅱ/NADP;
Beta-烟酰胺腺嘌呤二核苷酸磷酸二钠盐;
β-烟酰胺腺嘌呤二核苷酸磷酸二钠盐;
氧化型辅酶/NADP;
氧化型辅酶Ⅱ二钠
英文别名：
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt;
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt, disodium salt;
Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5'→5'-ester with adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), inner salt, disodium salt (8CI);
Disodium NADP;
NAD sodium phosphate
精确分子量/精确质量：
789.05500
极性分子表面积/PSA：
402.71000
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：
MFCD00065390
EINECS：
246-129-8
PubChem：
24889813
InChI：
InChI=1/C21H28N7O17P3.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,3

物化性质展开↓

外观与性状：
淡黄色粉末
水溶解性：
>50 G/L
存储条件/存储方法：

-20℃

其它信息：

1.       性状：未确定

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：88

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kpa,20ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：溶于水

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：
22-24/25-37/39-36-26
RTECS号：
CM4310500
危险标志：
Xi

MSDS 展开↓

Name: Triphosphopyridine Nucleotide Disodium Salt Material Safety Data Sheet
Synonym: beta-Nicotinamide Adenine Dinucleotide Phosphate Disodium Salt; NADP Disodium Sal
CAS: 24292-60-2
Section 1 - Chemical Product   MSDS Name:Triphosphopyridine Nucleotide Disodium Salt Material Safety Data Sheet
Synonym:beta-Nicotinamide Adenine Dinucleotide Phosphate Disodium Salt; NADP Disodium Sal
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
24292-60-2 Triphosphopyridine Nucleotide, Disodiu ca. 100 246-129-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24292-60-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: Not available.
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: >50 g/l water
Specific Gravity/Density:
Molecular Formula: C21H26N7O17P3Na2
Molecular Weight: 787.4
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 24292-60-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Triphosphopyridine Nucleotide, Disodium Salt - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 24292-60-2: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24292-60-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24292-60-2 is not listed on the TSCA inventory.
It is for research and development use only.

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.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:6

3.氢键受体数量:21

4.可旋转化学键数量:13

5.互变异构体数量:6

6.拓扑分子极性表面积373

7.重原子数量:50

8.表面电荷:0

9.复杂度:1280

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:8

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:3

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