ChemSpider 2D Image | Triphosphoric acid, mono[[(1S,4R)-4-(2-amino-1,6,7,8-tetrahydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl] ester | C11H18N5O11P3

Triphosphoric acid, mono[[(1S,4R)-4-(2-amino-1,6,7,8-tetrahydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]methyl] ester

  • Molecular FormulaC11H18N5O11P3
  • Average mass489.209 Da
  • Monoisotopic mass489.021576 Da
  • ChemSpider ID26389998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(1S,4R)-4-(2-amino-1,6,7,8-tetrahydro-6-oxo-9H-purin-9-yl)-2-cyclopenten-1-yl]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: 1.859
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.48
ACD/LogD (pH 5.5): -10.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 166.0±7.0 dyne/cm
Molar Volume: 204.8±7.0 cm3

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