ChemSpider 2D Image | (8xi,11beta,13alpha,14xi,16beta,17alpha)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate | C25H32ClFO5

(8ξ,11β,13α,14ξ,16β,17α)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate

  • Molecular FormulaC25H32ClFO5
  • Average mass466.970 Da
  • Monoisotopic mass466.192230 Da
  • ChemSpider ID73987223

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(8ξ,11β,13α,14ξ,16β,17α)-21-Chlor-9-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
(8ξ,11β,13α,14ξ,16β,17α)-21-Chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)-, (8ξ,11β,13α,14ξ,16β,17α)- [ACD/Index Name]
Propionate de (8ξ,11β,13α,14ξ,16β,17α)-21-chloro-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 569.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 98.1±6.0 kJ/mol
    Flash Point: 297.9±30.1 °C
    Index of Refraction: 1.560
    Molar Refractivity: 117.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.98
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 212.24
    ACD/KOC (pH 5.5): 1611.19
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 212.24
    ACD/KOC (pH 7.4): 1611.18
    Polar Surface Area: 81 Å2
    Polarizability: 46.7±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 364.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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