ChemSpider 2D Image | (5beta)-Estrane-3,17-dione | C18H26O2

(5β)-Estrane-3,17-dione

  • Molecular FormulaC18H26O2
  • Average mass274.398 Da
  • Monoisotopic mass274.193268 Da
  • ChemSpider ID60599892

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,3bR,5aR,9aS,9bR,11aS)-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-dione
(5β)-Estran-3,17-dion [German] [ACD/IUPAC Name]
(5β)-Estrane-3,17-dione [ACD/IUPAC Name]
(5β)-Estrane-3,17-dione [French] [ACD/IUPAC Name]
5696-51-5 [RN]
Estrane-3,17-dione, (5β)- [ACD/Index Name]
(5r,8r,9r,10s,13s,14s)-13-methyldodecahydro-1h-cyclopenta[a]phenanthrene-3,17(2h,4h)-dione
(5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione(WX116160)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 411.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 153.9±25.7 °C
    Index of Refraction: 1.526
    Molar Refractivity: 77.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 3.02
    ACD/BCF (pH 5.5): 115.79
    ACD/KOC (pH 5.5): 1044.19
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 115.79
    ACD/KOC (pH 7.4): 1044.19
    Polar Surface Area: 34 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 38.7±3.0 dyne/cm
    Molar Volume: 252.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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