ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi,20xi)-2,19-Epoxycholestane | C27H46O

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,19-Epoxycholestane

  • Molecular FormulaC27H46O
  • Average mass386.654 Da
  • Monoisotopic mass386.354858 Da
  • ChemSpider ID113652645
  • defined stereocentres - 1 of 9 defined stereocentres


More details:






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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,19-Epoxycholestan [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,19-Epoxycholestane [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-2,19-Époxycholestane [French] [ACD/IUPAC Name]
Cholestane, 2,19-epoxy-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 435.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 182.4±16.7 °C
Index of Refraction: 1.521
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.67
ACD/LogD (pH 5.5): 8.89
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1632556.50
ACD/LogD (pH 7.4): 8.89
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1632556.50
Polar Surface Area: 9 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 388.8±5.0 cm3

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