ChemSpider 2D Image | 3-Hydroxy(16,16-~2~H_2_)estra-1,3,5(10)-trien-17-one | C18H20D2O2

3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one

  • Molecular FormulaC18H20D2O2
  • Average mass272.378 Da
  • Monoisotopic mass272.174530 Da
  • ChemSpider ID19071963

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
3-Hydroxy(16,16-2H2)estra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one-16,16-d2, 3-hydroxy- [ACD/Index Name]
(8R,9S,13S,14S)-16,16-dideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
56588-58-0 [RN]
Estrone-16,16-d2
Estrone-d2

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 445.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 189.7±21.3 °C
    Index of Refraction: 1.587
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.69
    ACD/LogD (pH 5.5): 3.38
    ACD/BCF (pH 5.5): 216.53
    ACD/KOC (pH 5.5): 1634.43
    ACD/LogD (pH 7.4): 3.38
    ACD/BCF (pH 7.4): 216.23
    ACD/KOC (pH 7.4): 1632.15
    Polar Surface Area: 37 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 46.1±3.0 dyne/cm
    Molar Volume: 232.1±3.0 cm3

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