16321-99-6 (9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤,2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine)

快速询单

结构式：

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤MOL文件

CAS号：

16321-99-6

中文名称：

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤

英文名称：

2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine

分子式：

C₁₆H₁₈ClN₅O₇

分子量：

427.796422481537

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6)名称与标识符

名称

中文别名：

2'',3'',5''-三-O-乙酰-2-氨基-6-氯嘌呤核苷;2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷;(2R,3R,4R,5R)-2-(乙酰氧基甲基)-5-(2-氨基-6-氯-9H-嘌呤-9-基)-四氢呋喃-3,4-二基二乙酸酯;2 ,3 ,5 -三-O-乙酰-2-氨基-6-氯嘌呤核苷;2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside 2',3',5'-三-O-乙酰-2-氨基-6-氯嘌呤核苷;9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤;2-氨基-6-氯-9-(2',3',5'-三-O-乙酰基-beta-D-呋喃核糖基)嘌呤;

英文别名：

(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate;2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside;2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine;6-CHLORO-6-DEOXY-2’,3’,5’-TRI-O-ACETYLGUANOSINE;9H-Purin-2-amine,6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)-;NULL;[(2R,3S,4S,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate;ACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(2-AMINO-6-CHLORO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER;2-Amino-6-chloropurine ribonucleoside triacetate;2',3',5'-Tri-O-acetyl-6-chloroguanosine;NSC 70388;2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine;[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-amino-6-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate;HLVGVJFVAKPFOZ-SDBHATRESA-N;C16H18ClN5O7;[(2r,3r,4r,5r)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate;8292AA;9-(2,3,5-tri- O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine;F12905;AS-7059;2-Chloro-6-amino-9-(2',3',5'-tri-O-acetyl- beta -D-ribofuranosyl)purine;2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purine;2',3',5'-Tri-O-acetyl-6-chloro-6-deoxyguanosine;A810454;16321-99-6;MFCD03425473;9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine;AKOS015967409;9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine;2-Amino-6-chloropurine-9-(2 inverted exclamation mark ,3 inverted exclamation mark ,5 inverted exclamation mark -tri-O-acetyl)-riboside;2-amino-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-9H-purine;(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyldiacetate;SCHEMBL1120550;T2690;9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-(9H)-purine;9H-Purin-2-amine, 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-;2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl) purine;2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine;(2R,3R,4R,5R)-4-acetyloxy-5-(acetyloxymethyl)-2-(2-amino-6-chloropurin-9-yl)oxolan-3-yl acetate;2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-?-D-ribofuranosyl)purine;DA-60011;[(2R,3R,4R,5R)-3,4-BIS(ACETYLOXY)-5-(2-AMINO-6-CHLOROPURIN-9-YL)OXOLAN-2-YL]METHYL ACETATE;

标识符

MDL：

MFCD03425473

InChIKey：

HLVGVJFVAKPFOZ-SDBHATRESA-N

Inchi：

1S/C16H18ClN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1

SMILES：

ClC1C2=C(N=C(N)N=1)N(C=N2)[C@H]1[C@@H]([C@@H]([C@@H](COC(C)=O)O1)OC(C)=O)OC(C)=O

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6)物化性质

实验特性

LogP : 0.96700
PSA : 157.75000
折射率 : 1.69
沸点 : 637°C at 760 mmHg
熔点 : 146.0 to 150.0 deg-C
闪点 : 339°C
溶解度 : 几乎不溶 (0.02 g/L) (25 ºC),
密度 : 1.70±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 427.08900
氢键供体数量 : 1
氢键受体数量 : 11
可旋转化学键数量 : 8
同位素质量 : 427.089
重原子数量 : 29
复杂度 : 655
同位素原子数量 : 0
确定原子立构中心数量 : 4
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.2
拓扑分子极性表面积 : 158

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6)安全信息

储存条件： Sealed in dry,2-8°C

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9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6)上下游

左氧氟沙星去氟代杂质 N-乙酰基-6-氯-9-(2,3,5-三-O-乙酰基呋喃戊糖基)-9H-嘌呤-2-胺 6-氯-2-羟基-9-(2,3,5-三-O-乙酰基-β-D-呋核亚硝脲)嘌呤 Boc-1-氨基-环庚烷甲酸 2,3,5-三-O-乙酰基-6-氯嘌呤-9-Beta-D-呋喃核糖苷 2’,3’,5’-三-O-乙酰-6-氯-2-碘嘌呤核苷 6-甲氧基-鸟苷 6-氯鸟嘌呤乙酸酐鸟嘌呤核苷 6-氯鸟嘌呤核苷 2',3',5'-三乙酰鸟苷

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6)参考资料

Reaxys RN：

1234032

PubChem CID：

125307287

9-[2,3,5-三-o-乙酰基-Beta-d-呋喃核糖]-2-氨基-6-氯嘌呤(16321-99-6) MSDS

基础信息

2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside Revision number: 5
SAFETY DATA SHEET

Section 1. IDENTIFICATION
    2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside
  Product name:


    5
  Revision number:

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

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside
  Components:
    >97.0%(LC)(T)
  Percent:
    16321-99-6
  CAS Number:
    2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)purine
  Synonyms:
    C16H18ClN5O7
  Chemical Formula:

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

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
    Take care as it may decompose upon combustion or in high temperatures to
  Specific hazards arising
    generate poisonous fume.
  from the chemical:
  2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine
  Riboside

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

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    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
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws.
  Packaging material:

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

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
    Crystal- Powder
  Form:
    Slightly pale yellow - Yellow
  Colour:
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:148°C
    No data available
  Boiling point/range:
    No data available
  Flash point:
  Flammability or explosive
  limits:
    No data available
  Lower:
    No data available
  Upper:
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
    No data available
  [Other solvents]
  2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine
  Riboside

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
    No special reactivity has been reported.
  Possibility of hazardous
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:

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

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
    No data available
  Crustacea:
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
    No data available
  Soil adsorption (Koc):
    No data available
  Henry's Law
  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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
    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.
  2',3',5'-Tri-O-acetyl-2-amino-6-chloropurine
  Riboside

SECTION 16 - ADDITIONAL INFORMATION
N/A

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