ChemSpider 2D Image | 1-(5-Hydroxyhexyl)-3,7-bis[(~2~H_3_)methyl]-3,7-dihydro-1H-purine-2,6-dione | C13H14D6N4O3

1-(5-Hydroxyhexyl)-3,7-bis[(2H3)methyl]-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC13H14D6N4O3
  • Average mass286.360 Da
  • Monoisotopic mass286.191193 Da
  • ChemSpider ID48060316

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(5-Hydroxyhexyl)-3,7-bis[(2H3)methyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-(5-Hydroxyhexyl)-3,7-bis[(2H3)methyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-(5-Hydroxyhexyl)-3,7-bis[(2H3)méthyl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 3,7-dihydro-1-(5-hydroxyhexyl)-3,7-di(methyl-d3)- [ACD/Index Name]
(±)-lisofylline-d6
1-(5-hydroxyhexyl)-3,7-bis(trideuteriomethyl)purine-2,6-dione
1185995-26-9 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 511.2±56.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.3±3.0 kJ/mol
    Flash Point: 263.0±31.8 °C
    Index of Refraction: 1.621
    Molar Refractivity: 74.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.34
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.41
    ACD/KOC (pH 5.5): 65.41
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.41
    ACD/KOC (pH 7.4): 65.41
    Polar Surface Area: 79 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 50.6±7.0 dyne/cm
    Molar Volume: 211.2±7.0 cm3

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