6-Azauridine

6-Azauridine Structural Formula

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. Polarizability10-24cm3): 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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