ChemSpider 2D Image | (20S)-Cholest-5-en-3-one | C27H44O

(20S)-Cholest-5-en-3-one

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID28536561

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(20S)-Cholest-5-en-3-on [German] [ACD/IUPAC Name]
(20S)-Cholest-5-en-3-one [ACD/IUPAC Name]
(20S)-Cholest-5-én-3-one [French] [ACD/IUPAC Name]
Cholest-5-en-3-one, (20S)- [ACD/Index Name]
3-Keto Cholesterol
5-Cholesten-3-one
601-54-7 [RN]
MFCD00009940 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 477.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 200.5±15.1 °C
Index of Refraction: 1.519
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.44
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 558840.94
ACD/KOC (pH 5.5): 452355.53
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 558840.94
ACD/KOC (pH 7.4): 452355.53
Polar Surface Area: 17 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

Click to predict properties on the Chemicalize site


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