ChemSpider 2D Image | (3beta,17beta)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate | C22H31NO3

(3β,17β)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate

  • Molecular FormulaC22H31NO3
  • Average mass357.486 Da
  • Monoisotopic mass357.230408 Da
  • ChemSpider ID22886547

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,17β)-17-Cyan-17-hydroxyandrost-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,17β)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,17β)-17-cyano-17-hydroxyandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-ene-17-carbonitrile, 3-(acetyloxy)-17-hydroxy-, (3β,17β)- [ACD/Index Name]
(3S,8R,9S,10R,13S,14S,17S)-17-cyano-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
[(3S,8R,9S,10R,13S,14S,17S)-17-cyano-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
41569-63-5 [RN]
Acetic acid (3S,8R,9S,10R,13S,14S,17S)-17-cyano-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 496.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±6.0 kJ/mol
    Flash Point: 254.0±28.7 °C
    Index of Refraction: 1.559
    Molar Refractivity: 98.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.77
    ACD/LogD (pH 5.5): 3.86
    ACD/BCF (pH 5.5): 501.69
    ACD/KOC (pH 5.5): 2982.47
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 501.61
    ACD/KOC (pH 7.4): 2981.98
    Polar Surface Area: 70 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 49.3±5.0 dyne/cm
    Molar Volume: 305.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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