ChemSpider 2D Image | Acebrochol | C29H48Br2O2

Acebrochol

  • Molecular FormulaC29H48Br2O2
  • Average mass588.498 Da
  • Monoisotopic mass586.202087 Da
  • ChemSpider ID9127276

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3b,5a,6b)-5,6-Dibromocholestan-3-yl Acetate
(3β,5α,6β)-5,6-Dibromcholestan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,5α,6β)-5,6-Dibromocholestan-3-yl acetate [ACD/IUPAC Name]
5,6-b-Dibromo-5a-cholestan-3b-ol Acetate
5,6β-Dibromo-5α-cholestan-3β-ol acetate
514-50-1 [RN]
585
7XZB016MY5
Acebrochol [INN] [Wiki]
acébrochol [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 545.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.9±27.3 °C
Index of Refraction: 1.540
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.29
ACD/LogD (pH 5.5): 9.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5363017.50
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5363017.50
Polar Surface Area: 26 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 463.4±5.0 cm3

Click to predict properties on the Chemicalize site


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