ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-Cholestan-6-one | C27H46O

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestan-6-one

  • Molecular FormulaC27H46O
  • Average mass386.654 Da
  • Monoisotopic mass386.354858 Da
  • ChemSpider ID22889569

  • 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)-Cholestan-6-on [German] [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestan-6-one [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-Cholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-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: 452.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 219.3±12.1 °C
Index of Refraction: 1.498
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 7.81
ACD/BCF (pH 5.5): 509501.75
ACD/KOC (pH 5.5): 423395.44
ACD/LogD (pH 7.4): 7.81
ACD/BCF (pH 7.4): 509501.75
ACD/KOC (pH 7.4): 423395.44
Polar Surface Area: 17 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 33.7±3.0 dyne/cm
Molar Volume: 405.7±3.0 cm3

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