ChemSpider 2D Image | (2beta,3beta,5alpha)-5-Hydroxy-6-oxocholestane-2,3-diyl diacetate | C31H50O6

(2β,3β,5α)-5-Hydroxy-6-oxocholestane-2,3-diyl diacetate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID9093603

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5α)-5-Hydroxy-6-oxocholestan-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
(2β,3β,5α)-5-Hydroxy-6-oxocholestane-2,3-diyl diacetate [ACD/IUPAC Name]
Cholestan-6-one, 2,3-bis(acetyloxy)-5-hydroxy-, (2β,3β,5α)- [ACD/Index Name]
Diacétate de (2β,3β,5α)-5-hydroxy-6-oxocholestane-2,3-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 173.9±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70583.53
ACD/KOC (pH 5.5): 102868.49
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70581.83
ACD/KOC (pH 7.4): 102866.01
Polar Surface Area: 90 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 466.1±5.0 cm3

Click to predict properties on the Chemicalize site


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