ChemSpider 2D Image | 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-(~2~H_5_)anthracenedione | C15H5D5O5

1,8-Dihydroxy-3-(hydroxymethyl)-9,10-(2H5)anthracenedione

  • Molecular FormulaC15H5D5O5
  • Average mass275.268 Da
  • Monoisotopic mass275.084198 Da
  • ChemSpider ID48058131

  • Non-standard isotope - Non-standard isotope

More details:

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

1,8-Dihydroxy-3-(hydroxymethyl)-9,10-(2H5)anthracendion [German] [ACD/IUPAC Name]
1,8-Dihydroxy-3-(hydroxymethyl)-9,10-(2H5)anthracenedione [ACD/IUPAC Name]
1,8-Dihydroxy-3-(hydroxyméthyl)-9,10-(2H5)anthracènedione [French] [ACD/IUPAC Name]
9,10-Anthracenedione-1,2,3,6,8-d5, 4,5-dihydroxy-7-(hydroxymethyl)- [ACD/Index Name]
1,2,3,6,8-pentadeuterio-4,5-dihydroxy-7-(hydroxymethyl)anthracene-9,10-dione
1286579-72-3 [RN]
ALOE-EMODIN-D5

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 568.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.8±3.0 kJ/mol
    Flash Point: 311.9±26.6 °C
    Index of Refraction: 1.746
    Molar Refractivity: 68.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 2.88
    ACD/BCF (pH 5.5): 86.35
    ACD/KOC (pH 5.5): 799.66
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 1.95
    ACD/KOC (pH 7.4): 18.01
    Polar Surface Area: 95 Å2
    Polarizability: 27.3±0.5 10-24cm3
    Surface Tension: 88.5±3.0 dyne/cm
    Molar Volume: 169.7±3.0 cm3

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