ChemSpider 2D Image | (11beta,16alpha,17beta)-9-Fluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid | C21H27FO4

(11β,16α,17β)-9-Fluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

  • Molecular FormulaC21H27FO4
  • Average mass362.435 Da
  • Monoisotopic mass362.189331 Da
  • ChemSpider ID48063649

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α,17β)-9-Fluor-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-carbonsäure [German] [ACD/IUPAC Name]
(11β,16α,17β)-9-Fluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid [ACD/IUPAC Name]
Acide (11β,16α,17β)-9-fluoro-11-hydroxy-16-méthyl-3-oxoandrosta-1,4-diène-17-carboxylique [French] [ACD/IUPAC Name]
Androsta-1,4-diene-17-carboxylic acid, 9-fluoro-11-hydroxy-16-methyl-3-oxo-, (11β,16α,17β)- [ACD/Index Name]
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid
17??-Carboxy-17-desoxy Dexamethasone
17β-carboxy-17-desoxy dexamethasone
75262-69-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 529.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 92.5±6.0 kJ/mol
    Flash Point: 273.9±30.1 °C
    Index of Refraction: 1.579
    Molar Refractivity: 94.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 3.07
    ACD/KOC (pH 5.5): 38.98
    ACD/LogD (pH 7.4): -0.53
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 75 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 282.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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