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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