ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-Cholest-6-en-3-one | C27H44O

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-6-en-3-one

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID22889577

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-6-en-3-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-6-en-3-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholest-6-én-3-one [French] [ACD/IUPAC Name]
Cholest-6-en-3-one, (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: 469.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 196.5±15.1 °C
Index of Refraction: 1.506
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.30
ACD/LogD (pH 5.5): 7.39
ACD/BCF (pH 5.5): 245756.13
ACD/KOC (pH 5.5): 251245.25
ACD/LogD (pH 7.4): 7.39
ACD/BCF (pH 7.4): 245756.13
ACD/KOC (pH 7.4): 251245.25
Polar Surface Area: 17 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 398.9±3.0 cm3

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