ChemSpider 2D Image | 3,7-Dihydro-7-(methyl-d3)-1H-purine-2,6-dione | C6H3D3N4O2

3,7-Dihydro-7-(methyl-d3)-1H-purine-2,6-dione

  • Molecular FormulaC6H3D3N4O2
  • Average mass169.156 Da
  • Monoisotopic mass169.067902 Da
  • ChemSpider ID103869633

  • Non-standard isotope - Non-standard isotope

More details:

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

1185878-99-2 [RN]
1H-Purine-2,6-dione, 3,7-dihydro-7-(methyl-d3)- [ACD/Index Name]
3,7-Dihydro-7-(methyl-d3)-1H-purine-2,6-dione
7-(2H3)Methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
7-(2H3)Methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
7-(2H3)Méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]

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: 1.827
Molar Refractivity: 39.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.12
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.73
Polar Surface Area: 76 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 82.9±7.0 dyne/cm
Molar Volume: 90.7±7.0 cm3

Click to predict properties on the Chemicalize site


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