ChemSpider 2D Image | (3alpha,11alpha)-25-Hydroxy-6-oxocholest-4-ene-3,11-diyl diacetate | C31H48O6

(3α,11α)-25-Hydroxy-6-oxocholest-4-ene-3,11-diyl diacetate

  • Molecular FormulaC31H48O6
  • Average mass516.709 Da
  • Monoisotopic mass516.345093 Da
  • ChemSpider ID8544748
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,11α)-25-Hydroxy-6-oxocholest-4-en-3,11-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,11α)-25-Hydroxy-6-oxocholest-4-ene-3,11-diyl diacetate [ACD/IUPAC Name]
Cholest-4-en-6-one, 3,11-bis(acetyloxy)-25-hydroxy-, (3α,11α)- [ACD/Index Name]
Diacétate de (3α,11α)-25-hydroxy-6-oxocholest-4-ène-3,11-diyle [French] [ACD/IUPAC Name]
3,11-diacetoxy-25-hydroxycholest-4-enone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 598.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 183.3±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.62
ACD/BCF (pH 5.5): 11073.62
ACD/KOC (pH 5.5): 27320.68
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 11073.62
ACD/KOC (pH 7.4): 27320.68
Polar Surface Area: 90 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 458.6±5.0 cm3

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