ChemSpider 2D Image | 1-(~2~H_3_)Methyl(2-~13~C)-3,9-dihydro-1H-purine-2,6-dione | C513CH3D3N4O2


  • Molecular FormulaC513CH3D3N4O2
  • Average mass170.149 Da
  • Monoisotopic mass170.071259 Da
  • ChemSpider ID62968988
  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl(2-13C)-3,9-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(2H3)Methyl(2-13C)-3,9-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(2H3)Méthyl(2-13C)-3,9-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione-2-13C, 3,9-dihydro-1-(methyl-d3)- [ACD/Index Name]
109987-37-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 38.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 107.9±3.0 cm3

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