ChemSpider 2D Image | (11beta,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al | C22H27FO5

(11β,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al

  • Molecular FormulaC22H27FO5
  • Average mass390.445 Da
  • Monoisotopic mass390.184265 Da
  • ChemSpider ID48063736

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16β)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [German] [ACD/IUPAC Name]
(11β,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-al [ACD/IUPAC Name]
(11β,16β)-9-Fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-al [French] [ACD/IUPAC Name]
Pregna-1,4-dien-21-al, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-, (11β,16β)- [ACD/Index Name]
2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde
21-dehydro βmethasone
61558-12-1 [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: 538.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±6.0 kJ/mol
    Flash Point: 279.7±30.1 °C
    Index of Refraction: 1.584
    Molar Refractivity: 99.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 1.78
    ACD/BCF (pH 5.5): 13.36
    ACD/KOC (pH 5.5): 222.60
    ACD/LogD (pH 7.4): 1.78
    ACD/BCF (pH 7.4): 13.36
    ACD/KOC (pH 7.4): 222.59
    Polar Surface Area: 92 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 54.6±5.0 dyne/cm
    Molar Volume: 295.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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