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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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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