Structural formula
| Business number | 039H |
|---|---|
| Molecular formula | C10H13N5O5 |
| Molecular weight | 283.24 |
| label |
9-(β-D-Ribofuranosyl)guanine, Guanine-9-β-D-ribofuranoside, Heterocyclic compounds |
Numbering system
CAS number:118-00-3
MDL number:MFCD00010182
EINECS number:204-227-8
RTECS number:MF8750000
BRN number:625911
PubChem number:24895268
Physical property data
1. Characteristics: White or off-white crystallinitypowder
2. Density (g/mL,20℃） : Undetermined
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): 250
5. Boiling point (ºC,normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): -62
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit ( %,V/V): Undetermined
19. Solubility:Slightly soluble in water, insoluble in ethanol, ether, soluble in acetic acid.
Toxicological data
1. Acute toxicity:Mouse abdominal cavityLD50：500mg/kg
Mouse veinLD50：180mg/kg
2. Reproductive toxicity: intraperitoneally administered to female mice after fertilization TDLO: 1g/kg, Lasts 13 days
Female fertilized mice intraperitoneally TDLO: 750mg/kg , lasting 13 days
Female fertilized mice intraperitoneally TDLO: 750mg/kg , lasting 10 days
3. Mutagenic: E. coli phage Inhibitory power: 1g/L
Human cell mutations: 1mmol/L
Ecological data
Slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 9
6. Topological molecule polar surface area 155
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 446
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 4
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stable at normal temperature and pressure, avoid contact with strong oxidants and heat.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
Mainly used in the manufacture of acyclovir and trioxazole core The main raw materials of drugs such as glycosides and guanosine triphosphate sodium.
re”>3. Mutagenic: E. coli phage Inhibitory power: 1g/L
Human cell mutations: 1mmol/L
Ecological data
Slightly harmful to water.
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 9
6. Topological molecule polar surface area 155
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 446
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 4
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Stable at normal temperature and pressure, avoid contact with strong oxidants and heat.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and water sources. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
Mainly used in the manufacture of acyclovir and trioxazole core The main raw materials of drugs such as glycosides and guanosine triphosphate sodium.
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