Structural formula
| Business number | 016B |
|---|---|
| Molecular formula | C8H11N3O6 |
| Molecular weight | 245.19 |
| label |
azouridine, 6-Azauracil riboside, 2-β-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione, 6-Azauracil nucleoside, 2-β-D-ribofuranose-1,2,4triazine-3,5(2H,4H)dione |
Numbering system
CAS number:54-25-1
MDL number:MFCD00006472
EINECS number:200-199-6
RTECS number:XY8575000
BRN number:None
PubChem number:24890597
Physical property data
1. Characteristics: Crystal. Maximum absorption wavelength 225nm, molar absorption coefficient 5754 (50% ethanol)
2. Density (g/mL,25/4℃): Undetermined
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (oC): 160-161
5. Boiling point (oC,normal pressure): Undetermined
6. Boiling point (oC,5.2kPa): Not determined
7. Refractive index: Undetermined
8. Flashpoint (oC): Undetermined
9. Specific optical rotation (o): [a]D-132°(pyridine)
10. Autoignition point or ignition temperature (oC): Undetermined
11. Vapor pressure (kPa,25oC): Undetermined
12. Saturated vapor pressure (kPa,60oC): 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: soluble in ethanol and pyridine.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 50.02
2. Molar volume (m3/mol):117.5
3. Isotonic specific volume (90.2K):374.7
4. Surface Tension (dyne/cm):103.3
5. Polarizability（10-24cm3): 19.83
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):-2.1
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 3
6. Topological molecular polar surface area (TPSA): 132
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 372
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 4
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
4 Store in dry condition.
Synthesis method
This product can be purchased from 6- Chlorouracil (6-azauracil) can be obtained by transformation of Escherichia coli or chemical synthesis.
Purpose
Biochemical research. Inhibits the biosynthesis of uridylic acid (UMP).
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