ChemSpider 2D Image | 1-Methyl Xanthine-d3 | C6H3D3N4O2

1-Methyl Xanthine-d3

  • Molecular FormulaC6H3D3N4O2
  • Average mass169.156 Da
  • Monoisotopic mass169.067902 Da
  • ChemSpider ID23975983

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(2H3)Methyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(2H3)Méthyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
109987-37-3 [RN]
1H-Purine-2,6-dione, 3,9-dihydro-1-(methyl-d3)- [ACD/Index Name]
1-Methyl Xanthine-d3
1-(trideuteriomethyl)-3,7-dihydropurine-2,6-dione
1216430-61-3 [RN]
1H-Purine-2,6-dione-2-13C,3,7-dihydro-1-(methyl-d3)- (9CI)

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

    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: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.52
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.48
    ACD/LogD (pH 7.4): -0.43
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 12.74
    Polar Surface Area: 78 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 72.1±3.0 dyne/cm
    Molar Volume: 107.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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