ChemSpider 2D Image | (8x,17b)-3,17-dihydroxyestra-1,3,5(10)-trien-6-one | C18H22O3

(8x,17b)-3,17-dihydroxyestra-1,3,5(10)-trien-6-one

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID21499839

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(8x,17b)-3,17-dihydroxyestra-1,3,5(10)-trien-6-one
(8ξ,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-on [German] [ACD/IUPAC Name]
(8ξ,17β)-3,17-Dihydroxyestra-1,3,5(10)-trien-6-one [ACD/IUPAC Name]
(8ξ,17β)-3,17-Dihydroxyestra-1,3,5(10)-trién-6-one [French] [ACD/IUPAC Name]
estra-1,3,5(10)-trien-6-one, 3,17-dihydroxy-, (8x,17b)-
Estra-1,3,5(10)-trien-6-one, 3,17-dihydroxy-, (8ξ,17β)- [ACD/Index Name]
(8R,9S,13S,14S,17S)-3,17-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one [ACD/IUPAC Name]
(9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-6-one
(9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one
571-92-6 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 478.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.3±3.0 kJ/mol
    Flash Point: 257.5±25.2 °C
    Index of Refraction: 1.612
    Molar Refractivity: 79.6±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.37
    ACD/KOC (pH 5.5): 908.80
    ACD/LogD (pH 7.4): 2.90
    ACD/BCF (pH 7.4): 94.36
    ACD/KOC (pH 7.4): 899.19
    Polar Surface Area: 58 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 229.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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