ChemSpider 2D Image | 4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one | C8H14N4O11P2

4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H14N4O11P2
  • Average mass404.164 Da
  • Monoisotopic mass404.013428 Da
  • ChemSpider ID31045429

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,5-Triazin-2(1H)-one, 4-amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
2226-73-5 [RN]
4-Amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one
4-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC Name]
((2R,3S,4R,5R)-5-(4-Amino-2-oxo-1,3,5-triazin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
5-Azacytidine 5’-Diphosphate
5-Azacytidine 5'-Diphosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 758.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 412.7±35.7 °C
Index of Refraction: 1.842
Molar Refractivity: 71.0±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.76
ACD/LogD (pH 5.5): -9.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 254 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 174.8±7.0 dyne/cm
Molar Volume: 160.0±7.0 cm3

Click to predict properties on the Chemicalize site


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