ChemSpider 2D Image | (5beta,9xi,11alpha,14xi)-11-Hydroxypregnane-3,20-dione | C21H32O3

(5β,9ξ,11α,14ξ)-11-Hydroxypregnane-3,20-dione

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID22871273

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5β,9ξ,11α,14ξ)-11-Hydroxypregnan-3,20-dion [German] [ACD/IUPAC Name]
(5β,9ξ,11α,14ξ)-11-Hydroxypregnane-3,20-dione [ACD/IUPAC Name]
(5β,9ξ,11α,14ξ)-11-Hydroxyprégnane-3,20-dione [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 11-hydroxy-, (5β,9ξ,11α,14ξ)- [ACD/Index Name]
(5R,8S,10S,11R,13S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 468.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±6.0 kJ/mol
    Flash Point: 251.0±25.2 °C
    Index of Refraction: 1.533
    Molar Refractivity: 92.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.61
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 130.79
    ACD/KOC (pH 5.5): 1139.37
    ACD/LogD (pH 7.4): 3.09
    ACD/BCF (pH 7.4): 130.79
    ACD/KOC (pH 7.4): 1139.37
    Polar Surface Area: 54 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 42.0±3.0 dyne/cm
    Molar Volume: 298.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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