4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷

4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷 基本信息
CAS号 159922-50-6 分子式 C27H30O7
分子量 466.52300 精确质量  466.19900
PSA  86.61000 LogP  3.32290

基本信息 展开↓

CAS号:
159922-50-6
3D弹球模型:
立即前往扯扯看
分子式:
C27H30O7
分子量:
466.52300
中文名称:
4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷
英文名称:
(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol
中文别名:
4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷;
4-甲氧苯基-2,6-二-O-苄基-Β-D-吡喃半乳糖苷;
4-甲氧苯基2,6-二-O-苄基-Beta-D-吡喃半乳糖苷
英文别名:
(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-5-phenylmethoxy-2-(phenylmethoxymethyl)oxane-3,4-diol;
M1634;
4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-galactopyranoside;
4-Methoxyphenyl 2,6-di-O-benzyl-b-D-galactopyranoside
精确分子量/精确质量:
466.19900
极性分子表面积/PSA:
86.61000
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。
InChI:
The Key: ZNONEMGWLHXQDN-LXSUACKSSA-N

物化性质展开↓

密度:
1.279g/cm3
熔点:
113ºC
沸点:
641.144ºC at 760 mmHg
闪点:
341.552ºC
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:

保存方法: 冰箱内

其它信息:

1.      性状:未确定

2.      密度(g/mL,20):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):113

5.      沸点(ºC,常压):未确定

6.      沸点(ºC  0.1mmHg):未确定

7.      折射率:-1º

8.      闪点(ºF):未确定

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,25ºC):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:未确定

合成路线查看所有的合成路线

  • 159922-68-6

    4-甲氧苯基2,6-二-O-苄基-3,4-O-异亚丙基-β-D-吡喃半乳糖苷

  • ~97%

  • 159922-50-6

    4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷

  • 100-39-0

    溴化苄

  • 159922-50-6

    4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷

  • 4163-60-4

    β-D-半乳糖五乙酸酯

  • 159922-50-6

    4-甲氧苯基2,6-二-O-苄基-β-D-吡喃葡萄糖苷

MSDS 展开↓

  4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-      Revision number: 5    
  galactopyranoside
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
    4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-galactopyranoside
  Product name:
                  

  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statements
  Precautionary statements:        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-galactopyranoside    
  Percent:        >98.0%(LC)    
  CAS Number:        159922-50-6    
  Chemical Formula:        C27H30O7    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-
  galactopyranoside

Section 5. FIRE-FIGHTING MEASURES
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a freezer.    
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
    Comply with laws.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        White - Very pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:113°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Slightly soluble:        Chloroform    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-
  galactopyranoside

Section 10. STABILITY AND REACTIVITY
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not listed
  UN-No:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  4-Methoxyphenyl 2,6-Di-O-benzyl-β-D-
  galactopyranoside


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):3.2

2.氢键供体数量:2

3.氢键受体数量:7

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积86.6

7.重原子数量:34

8.表面电荷:0

9.复杂度:555

10.同位素原子数量:0

11.确定原子立构中心数量:5

12.不确定原子立构中心数量:0

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:1

上下游相关产品

上游产品

更多
  • 159922-68-6

    4-甲氧苯基2,6-二-O-苄基-3,4-O-异亚丙基-β-D-吡喃半乳糖苷

  • 159922-67-5

    4-甲氧苯基-3,4-O-异亚丙基-β-D-吡喃半乳糖苷

  • 3150-20-7

    4-甲氧苯基-β-D-半乳糖苷

  • 2872-65-3

    对甲氧基苯基 2,3,4,6-O-四乙酰基-beta-D-吡喃半乳糖苷

  • 150-76-5

    4-甲氧基苯酚

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便