ChemSpider 2D Image | 3-Oxoandrost-4-en-17-yl propionate | C22H32O3

3-Oxoandrost-4-en-17-yl propionate

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID22875501

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-Oxoandrost-4-en-17-yl propionate [ACD/IUPAC Name]
3-Oxoandrost-4-en-17-ylpropionat [German] [ACD/IUPAC Name]
Androst-4-en-3-one, 17-(1-oxopropoxy)- [ACD/Index Name]
Propionate de 3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl propionate
[(8R,9S,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate
29480-98-6 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 454.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 196.3±28.8 °C
    Index of Refraction: 1.538
    Molar Refractivity: 97.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.90
    ACD/LogD (pH 5.5): 4.30
    ACD/BCF (pH 5.5): 1096.41
    ACD/KOC (pH 5.5): 5219.31
    ACD/LogD (pH 7.4): 4.30
    ACD/BCF (pH 7.4): 1096.41
    ACD/KOC (pH 7.4): 5219.31
    Polar Surface Area: 43 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 42.0±5.0 dyne/cm
    Molar Volume: 311.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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