ChemSpider 2D Image | (5alpha)-Androsta-2,16-dien-17-yl acetate | C21H30O2

(5α)-Androsta-2,16-dien-17-yl acetate

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID23345615

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
(5α)-Androsta-2,16-dien-17-yl acetate [ACD/IUPAC Name]
(5α)-Androsta-2,16-dien-17-yl-acetat [German] [ACD/IUPAC Name]
50588-42-6 [RN]
Acétate de (5α)-androsta-2,16-dién-17-yle [French] [ACD/IUPAC Name]
Androsta-2,16-dien-17-ol, acetate, (5α)- [ACD/Index Name]
(2a,3a,5a,16a,17?)-Androstan-17-ol-2,3,16,17-diepoxy acetate
(5??)-Androsta-2,16-dien-17-ol 17-Acetate
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
(5s,8r,9s,10s,13s,14s)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1h-cyclopenta[a]phenanthren-17-ylacetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 413.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 174.4±26.1 °C
    Index of Refraction: 1.547
    Molar Refractivity: 92.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 6.92
    ACD/LogD (pH 5.5): 5.36
    ACD/BCF (pH 5.5): 6973.66
    ACD/KOC (pH 5.5): 19621.87
    ACD/LogD (pH 7.4): 5.36
    ACD/BCF (pH 7.4): 6973.66
    ACD/KOC (pH 7.4): 19621.87
    Polar Surface Area: 26 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 40.4±5.0 dyne/cm
    Molar Volume: 291.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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