ChemSpider 2D Image | (11beta,16alpha,17Z)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4,17-trien-21-al | C22H27FO4

(11β,16α,17Z)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4,17-trien-21-al

  • Molecular FormulaC22H27FO4
  • Average mass374.446 Da
  • Monoisotopic mass374.189331 Da
  • ChemSpider ID48063661

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11β,16α,17Z)-9-Fluor-11,20-dihydroxy-16-methyl-3-oxopregna-1,4,17-trien-21-al [German] [ACD/IUPAC Name]
(11β,16α,17Z)-9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4,17-trien-21-al [ACD/IUPAC Name]
(11β,16α,17Z)-9-Fluoro-11,20-dihydroxy-16-méthyl-3-oxoprégna-1,4,17-trién-21-al [French] [ACD/IUPAC Name]
Pregna-1,4,17-trien-21-al, 9-fluoro-11,20-dihydroxy-16-methyl-3-oxo-, (11β,16α,17Z)- [ACD/Index Name]
(2Z)-2-[(8S,9R,10S,11S,13S,14S,16R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde
(Z)-9-Fluoro-11β,20-dihydroxy-16α-methylpregna-1,4,17(20)-triene-3,21-dione
1174035-75-6 [RN]
6762-51-2 [RN]
CID 71315848

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 566.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±6.0 kJ/mol
    Flash Point: 296.3±30.1 °C
    Index of Refraction: 1.590
    Molar Refractivity: 98.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): 2.61
    ACD/BCF (pH 5.5): 56.92
    ACD/KOC (pH 5.5): 628.11
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.22
    ACD/KOC (pH 7.4): 620.38
    Polar Surface Area: 75 Å2
    Polarizability: 39.0±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 291.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement