ChemSpider 2D Image | 5,7-Dihydro-1H-purine-2,6,8(3H)-trione | C5H4N4O3

5,7-Dihydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC5H4N4O3
  • Average mass168.110 Da
  • Monoisotopic mass168.028336 Da
  • ChemSpider ID21865627

More details:

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

1H-Purine-2,6,8(9H)-trione, 5,7-dihydro- [ACD/Index Name]
5,7-Dihydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
5,7-Dihydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
5,7-Dihydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
1,3,5,7-tetrahydropurine-2,6,8-trione
4480-86-8 [RN]
isourate

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.090
Molar Refractivity: 35.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): -1.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 100 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 151.4±7.0 dyne/cm
Molar Volume: 66.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement