ChemSpider 2D Image | (8alpha,9beta,10alpha,14beta,17alpha,20S)-Cholesta-4,6-dien-3-one | C27H42O

(8α,9β,10α,14β,17α,20S)-Cholesta-4,6-dien-3-one

  • Molecular FormulaC27H42O
  • Average mass382.622 Da
  • Monoisotopic mass382.323578 Da
  • ChemSpider ID22889579

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(8α,9β,10α,14β,17α,20S)-Cholesta-4,6-dien-3-on [German] [ACD/IUPAC Name]
(8α,9β,10α,14β,17α,20S)-Cholesta-4,6-dien-3-one [ACD/IUPAC Name]
(8α,9β,10α,14β,17α,20S)-Cholesta-4,6-dién-3-one [French] [ACD/IUPAC Name]
Cholesta-4,6-dien-3-one, (8α,9β,10α,14β,17α,20S)- [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: 494.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 250.7±10.4 °C
Index of Refraction: 1.530
Molar Refractivity: 118.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206840.55
ACD/KOC (pH 5.5): 222079.03
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206840.55
ACD/KOC (pH 7.4): 222079.03
Polar Surface Area: 17 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

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