ChemSpider 2D Image | Triphosphoric acid, mono[[(2S,5R)-5-(6-amino-4,7-dihydro-7-oxo-3H-imidazo[4,5-c]pyridin-3-yl)tetrahydro-2-furanyl]methyl] ester | C11H17N4O12P3

Triphosphoric acid, mono[[(2S,5R)-5-(6-amino-4,7-dihydro-7-oxo-3H-imidazo[4,5-c]pyridin-3-yl)tetrahydro-2-furanyl]methyl] ester

  • Molecular FormulaC11H17N4O12P3
  • Average mass490.194 Da
  • Monoisotopic mass490.005585 Da
  • ChemSpider ID23259105

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(2S,5R)-5-(6-amino-4,7-dihydro-7-oxo-3H-imidazo[4,5-c]pyridin-3-yl)tetrahydro-2-furanyl]methyl] ester [ACD/Index Name]
2'-3'-dideoxy-7-deaza-guaninetriphosphate
CHEMBL195111

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

Density: 2.4±0.1 g/cm3
Boiling Point: 906.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.1±3.0 kJ/mol
Flash Point: 502.0±37.1 °C
Index of Refraction: 1.828
Molar Refractivity: 90.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -6.76
ACD/LogD (pH 5.5): -11.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 159.8±7.0 dyne/cm
Molar Volume: 206.5±7.0 cm3

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