ChemSpider 2D Image | (5alpha,8alpha,9xi,10xi,13xi,17xi)-7-Oxo-8,14-epoxycholestan-3-yl acetate | C29H46O4

(5α,8α,9ξ,10ξ,13ξ,17ξ)-7-Oxo-8,14-epoxycholestan-3-yl acetate

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID22889593
  • defined stereocentres - 4 of 9 defined stereocentres


More details:






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

(5α,8α,9ξ,10ξ,13ξ,17ξ)-7-Oxo-8,14-epoxycholestan-3-yl acetate [ACD/IUPAC Name]
(5α,8α,9ξ,10ξ,13ξ,17ξ)-7-Oxo-8,14-epoxycholestan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8α,9ξ,10ξ,13ξ,17ξ)-7-oxo-8,14-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Cholestan-7-one, 3-(acetyloxy)-8,14-epoxy-, (5α,8α,9ξ,10ξ,13ξ,17ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 538.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 226.4±30.2 °C
Index of Refraction: 1.530
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.10
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39579.37
ACD/KOC (pH 5.5): 67990.98
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39579.37
ACD/KOC (pH 7.4): 67990.98
Polar Surface Area: 56 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 420.3±5.0 cm3

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