ChemSpider 2D Image | (5alpha,9xi,11alpha,14xi)-3,20-Dioxopregnan-11-yl acetate | C23H34O4

(5α,9ξ,11α,14ξ)-3,20-Dioxopregnan-11-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID22870637

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5α,9ξ,11α,14ξ)-3,20-Dioxopregnan-11-yl acetate [ACD/IUPAC Name]
(5α,9ξ,11α,14ξ)-3,20-Dioxopregnan-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,9ξ,11α,14ξ)-3,20-dioxoprégnan-11-yle [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 11-(acetyloxy)-, (5α,9ξ,11α,14ξ)- [ACD/Index Name]
(5S,8S,10S,11R,13S,17S)-17-acetyl-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-11-yl acetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 477.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 205.2±28.8 °C
    Index of Refraction: 1.528
    Molar Refractivity: 102.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 3.67
    ACD/BCF (pH 5.5): 365.37
    ACD/KOC (pH 5.5): 2376.88
    ACD/LogD (pH 7.4): 3.67
    ACD/BCF (pH 7.4): 365.37
    ACD/KOC (pH 7.4): 2376.88
    Polar Surface Area: 60 Å2
    Polarizability: 40.6±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 332.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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