ChemSpider 2D Image | Triphosphoric acid, mono[[4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-cyano-2-hydroxycyclopentyl]methyl] ester | C12H17N6O12P3

Triphosphoric acid, mono[[4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-cyano-2-hydroxycyclopentyl]methyl] ester

  • Molecular FormulaC12H17N6O12P3
  • Average mass530.218 Da
  • Monoisotopic mass530.011719 Da
  • ChemSpider ID90666784

More details:

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

Triphosphoric acid, mono[[4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-1-cyano-2-hydroxycyclopentyl]methyl] ester [ACD/Index Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.871
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -5.53
ACD/LogD (pH 5.5): -11.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 319 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 175.5±7.0 dyne/cm
Molar Volume: 220.1±7.0 cm3

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