ChemSpider 2D Image | (14beta)-3,14-Dihydroxyestra-1(10),2,4-trien-17-one | C18H22O3

(14β)-3,14-Dihydroxyestra-1(10),2,4-trien-17-one

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID48063762

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(14β)-3,14-Dihydroxyestra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
(14β)-3,14-Dihydroxyestra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
(14β)-3,14-Dihydroxyestra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one, 3,14-dihydroxy-, (14β)- [ACD/Index Name]
(8R,9S,13S,14S)-3,14-dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
14964-03-5 [RN]
3,14-Dihydroxy 14??-Estra-1,3,5(10)-trien-17-one
3,14-Dihydroxy 14β-Estra-1,3,5(10)-trien-17-one
3,14-dihydroxy 14β-estra-1,3,5(10)-trien-17-one
3,14-Dihydroxy 14β-Estra-1,3,5(10)-trien-17-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 485.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±3.0 kJ/mol
    Flash Point: 261.5±25.2 °C
    Index of Refraction: 1.629
    Molar Refractivity: 79.5±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.43
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.22
    ACD/KOC (pH 5.5): 566.03
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.14
    ACD/KOC (pH 7.4): 565.15
    Polar Surface Area: 58 Å2
    Polarizability: 31.5±0.5 10-24cm3
    Surface Tension: 58.8±3.0 dyne/cm
    Molar Volume: 223.9±3.0 cm3

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