ChemSpider 2D Image | Octahydro-1H-purine-2,6,8-triol | C5H12N4O3

Octahydro-1H-purine-2,6,8-triol

  • Molecular FormulaC5H12N4O3
  • Average mass176.174 Da
  • Monoisotopic mass176.090942 Da
  • ChemSpider ID76963460

More details:

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

1H-Purine-2,6,8-triol, octahydro- [ACD/Index Name]
Octahydro-1H-purin-2,6,8-triol [German] [ACD/IUPAC Name]
Octahydro-1H-purine-2,6,8-triol [ACD/IUPAC Name]
Octahydro-1H-purine-2,6,8-triol [French] [ACD/IUPAC Name]
1H-purine-2,6,8-triol [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 315.9±20.7 °C
Index of Refraction: 1.594
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.97
Polar Surface Area: 109 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 115.8±3.0 cm3

Click to predict properties on the Chemicalize site


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