ChemSpider 2D Image | 4,5-Dihydroxy-3,7-dimethyltetrahydro-1H-purine-2,6,8(3H)-trione | C7H10N4O5

4,5-Dihydroxy-3,7-dimethyltetrahydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC7H10N4O5
  • Average mass230.178 Da
  • Monoisotopic mass230.065125 Da
  • ChemSpider ID28711706

More details:

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

1H-Purine-2,6,8(3H)-trione, tetrahydro-4,5-dihydroxy-3,7-dimethyl- [ACD/Index Name]
4,5-Dihydroxy-3,7-dimethyltetrahydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
4,5-Dihydroxy-3,7-dimethyltetrahydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
4,5-Dihydroxy-3,7-diméthyltétrahydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
94317-85-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.94
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.88
Polar Surface Area: 122 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 98.3±3.0 dyne/cm
Molar Volume: 127.8±3.0 cm3

Click to predict properties on the Chemicalize site


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