ChemSpider 2D Image | 8-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-1H-tetrazolo[5,1-b]purin-5(8H)-one | C10H14N7O14P3

8-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1H-tetrazolo[5,1-b]purin-5(8H)-one

  • Molecular FormulaC10H14N7O14P3
  • Average mass549.178 Da
  • Monoisotopic mass548.981140 Da
  • ChemSpider ID169860

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Tetrazolo[5,1-b]purin-5(8H)-one, 8-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]- [ACD/Index Name]
8-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1H-tetrazolo[5,1-b]purin-5(8H)-on [German] [ACD/IUPAC Name]
8-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1H-tetrazolo[5,1-b]purin-5(8H)-one [ACD/IUPAC Name]
8-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-ribofuranosyl]-1H-tétrazolo[5,1-b]purin-5(8H)-one [French] [ACD/IUPAC Name]
1H-Tetrazolo(5,1-b)purin-5(8H)-one, 8-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-β-D-ribofuranosyl)-
77044-71-4 [RN]
Tetrazolo-oxo-purine nucleoside triphosphate
Topntp

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

Density: 3.0±0.1 g/cm3
Boiling Point: 989.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.2±3.0 kJ/mol
Flash Point: 552.3±37.1 °C
Index of Refraction: 2.067
Molar Refractivity: 96.3±0.5 cm3
#H bond acceptors: 21
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.37
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 326 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 256.9±7.0 dyne/cm
Molar Volume: 184.5±7.0 cm3

Click to predict properties on the Chemicalize site


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