ChemSpider 2D Image | (7alpha,17beta)-7-(9-Bromononyl)-3-hydroxyestra-1,3,5(10)-trien-17-yl acetate | C29H43BrO3

(7α,17β)-7-(9-Bromononyl)-3-hydroxyestra-1,3,5(10)-trien-17-yl acetate

  • Molecular FormulaC29H43BrO3
  • Average mass519.554 Da
  • Monoisotopic mass518.239563 Da
  • ChemSpider ID26519302

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(7α,17β)-7-(9-Bromnonyl)-3-hydroxyestra-1,3,5(10)-trien-17-yl-acetat [German] [ACD/IUPAC Name]
(7α,17β)-7-(9-Bromononyl)-3-hydroxyestra-1,3,5(10)-trien-17-yl acetate [ACD/IUPAC Name]
Acétate de (7α,17β)-7-(9-bromononyl)-3-hydroxyestra-1,3,5(10)-trién-17-yle [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7α,17β)- [ACD/Index Name]
(1S,3aS,3bR,4R,9bS,11aS)-4-(9-bromononyl)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
(1S,3aS,3bR,4R,9bS,11aS)-4-(9-bromononyl)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl acetate
(7a,17b)-7-(9-Bromononyl)estra-1,3,5(10)-triene-3,17-diol 17-acetate
(7a,17b)-7-(9-Bromononyl)-estra-1,3,5(10)-triene-3,17-diol 17-acetate
(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11, 12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
(7R,8R,9S,13S,14S,17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 593.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.7±3.0 kJ/mol
    Flash Point: 312.6±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 138.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 9.63
    ACD/LogD (pH 5.5): 8.44
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 928400.31
    ACD/LogD (pH 7.4): 8.44
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 927138.25
    Polar Surface Area: 47 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 47.5±5.0 dyne/cm
    Molar Volume: 424.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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