ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-Cholestane-3,5-diol | C27H48O2

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestane-3,5-diol

  • Molecular FormulaC27H48O2
  • Average mass404.669 Da
  • Monoisotopic mass404.365417 Da
  • ChemSpider ID22889529

  • defined stereocentres - 2 of 9 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestan-3,5-diol [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestane-3,5-diol [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestane-3,5-diol [French] [ACD/IUPAC Name]
Cholestane-3,5-diol, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 498.9±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 205.0±18.6 °C
Index of Refraction: 1.525
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 100111.84
ACD/KOC (pH 5.5): 132107.17
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 100111.84
ACD/KOC (pH 7.4): 132107.17
Polar Surface Area: 40 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 397.9±3.0 cm3

Click to predict properties on the Chemicalize site


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