ChemSpider 2D Image | (3beta,5alpha,6beta)-5-Bromo-6,19-epoxycholestan-3-yl acetate | C29H47BrO3

(3β,5α,6β)-5-Bromo-6,19-epoxycholestan-3-yl acetate

  • Molecular FormulaC29H47BrO3
  • Average mass523.586 Da
  • Monoisotopic mass522.270874 Da
  • ChemSpider ID19975359

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6β)-5-Brom-6,19-epoxycholestan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,5α,6β)-5-Bromo-6,19-epoxycholestan-3-yl acetate [ACD/IUPAC Name]
5α-Cholestan-3β-ol, 5-bromo-6β,19-epoxy-, acetate
Acétate de (3β,5α,6β)-5-bromo-6,19-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Cholestan-3-ol, 5-bromo-6,19-epoxy-, acetate, (3β,5α,6β)- [ACD/Index Name]
Cholestan-3-ol, 5-bromo-6,19-epoxy-, acetate, (3β,5α,6β)-
(3b,5a,6b)-
1258-07-7 [RN]
5??-Bromo-6,19-epoxycholestanol 3-Acetate
5a-Bromo-6,19-epoxycholestanol 3-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: 546.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 284.5±28.7 °C
    Index of Refraction: 1.540
    Molar Refractivity: 137.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 9.04
    ACD/LogD (pH 5.5): 8.35
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 827682.63
    ACD/LogD (pH 7.4): 8.35
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 827682.63
    Polar Surface Area: 36 Å2
    Polarizability: 54.4±0.5 10-24cm3
    Surface Tension: 42.3±5.0 dyne/cm
    Molar Volume: 437.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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