ChemSpider 2D Image | 3-Methyl-1-[5-oxo(1,1,2,2,3,3-~2~H_6_)hexyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione | C15H16D6N4O3

3-Methyl-1-[5-oxo(1,1,2,2,3,3-2H6)hexyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC15H16D6N4O3
  • Average mass312.397 Da
  • Monoisotopic mass312.206848 Da
  • ChemSpider ID48063349

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl-1,1,2,2,3,3-d6)-7-propyl- [ACD/Index Name]
3-Methyl-1-[5-oxo(1,1,2,2,3,3-2H6)hexyl]-7-propyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
3-Methyl-1-[5-oxo(1,1,2,2,3,3-2H6)hexyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
3-Méthyl-1-[5-oxo(1,1,2,2,3,3-2H6)hexyl]-7-propyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1-(1,1,2,2,3,3-hexadeuterio-5-oxohexyl)-3-methyl-7-propylpurine-2,6-dione
1216516-37-8 [RN]
Propentofylline-d6

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 541.4±56.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.9±3.0 kJ/mol
    Flash Point: 281.2±31.8 °C
    Index of Refraction: 1.602
    Molar Refractivity: 83.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 1.46
    ACD/BCF (pH 5.5): 7.54
    ACD/KOC (pH 5.5): 147.80
    ACD/LogD (pH 7.4): 1.46
    ACD/BCF (pH 7.4): 7.54
    ACD/KOC (pH 7.4): 147.80
    Polar Surface Area: 76 Å2
    Polarizability: 33.1±0.5 10-24cm3
    Surface Tension: 47.9±7.0 dyne/cm
    Molar Volume: 243.4±7.0 cm3

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