ChemSpider 2D Image | (1,3-~2~H_2_)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione | C5H2D2N4O3

(1,3-2H2)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC5H2D2N4O3
  • Average mass170.123 Da
  • Monoisotopic mass170.040894 Da
  • ChemSpider ID111127289

  • Non-standard isotope - Non-standard isotope

More details:

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

(1,3-2H2)-7,9-Dihydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
(1,3-2H2)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
(1,3-2H2)-7,9-Dihydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
1H-Purine-2,6,8(3H)-trione-1,3-d2, 7,9-dihydro- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.721
Molar Refractivity: 35.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -3.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 89.8±5.0 cm3

Click to predict properties on the Chemicalize site


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