ChemSpider 2D Image | 2,6,8-Trioxo-1,2,3,6,8,9-hexahydropurin-7-ide | C5H3N4O3

2,6,8-Trioxo-1,2,3,6,8,9-hexahydropurin-7-ide

  • Molecular FormulaC5H3N4O3
  • Average mass167.103 Da
  • Monoisotopic mass167.021057 Da
  • ChemSpider ID21865431

  • Charge - Charge

More details:

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

1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-, ion(1-) [ACD/Index Name]
2,6,8-Trioxo-1,2,3,6,8,9-hexahydropurin-7-id [German] [ACD/IUPAC Name]
2,6,8-Trioxo-1,2,3,6,8,9-hexahydropurin-7-ide [ACD/IUPAC Name]
2,6,8-Trioxo-1,2,3,6,8,9-hexahydropurin-7-ide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 863.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 475.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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