ChemSpider 2D Image | (3beta,5alpha,8xi,9xi,10xi,13xi,14xi,17xi,20xi)-2,3-Epoxycholestane | C27H46O

(3β,5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,3-Epoxycholestane

  • Molecular FormulaC27H46O
  • Average mass386.654 Da
  • Monoisotopic mass386.354858 Da
  • ChemSpider ID21473842

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(3β,5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,3-Epoxycholestan [German] [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,3-Epoxycholestane [ACD/IUPAC Name]
(3β,5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,3-Époxycholestane [French] [ACD/IUPAC Name]
Cholestane, 2,3-epoxy-, (3β,5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)- [ACD/Index Name]
1-(1,5-dimethylhexyl)-8a,10a-dimethylperhydrocyclopenta[7,8]phenanthro[2,3-b]oxirene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 432.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 181.3±16.7 °C
Index of Refraction: 1.505
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 10.12
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1268551.75
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1268551.75
Polar Surface Area: 13 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 33.4±3.0 dyne/cm
Molar Volume: 399.0±3.0 cm3

Click to predict properties on the Chemicalize site


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