ChemSpider 2D Image | (4S,5R)-(4,5-~3~H_2_)Cholestan-3-one | C27H44T2O

(4S,5R)-(4,5-3H2)Cholestan-3-one

  • Molecular FormulaC27H44T2O
  • Average mass390.670 Da
  • Monoisotopic mass390.371307 Da
  • ChemSpider ID8795814

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,5R)-(4,5-3H2)Cholestan-3-on [German] [ACD/IUPAC Name]
(4S,5R)-(4,5-3H2)Cholestan-3-one [ACD/IUPAC Name]
(4S,5R)-(4,5-3H2)Cholestan-3-one [French] [ACD/IUPAC Name]
Cholestan-3-one-4,5-t2, (4S,5R)- [ACD/Index Name]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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