ChemSpider 2D Image | (3beta,13xi,17xi,22E)-Cholesta-5,22-dien-3-ol | C27H44O

(3β,13ξ,17ξ,22E)-Cholesta-5,22-dien-3-ol

  • Molecular FormulaC27H44O
  • Average mass384.638 Da
  • Monoisotopic mass384.339203 Da
  • ChemSpider ID58817075

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,13ξ,17ξ,22E)-Cholesta-5,22-dien-3-ol [German] [ACD/IUPAC Name]
(3β,13ξ,17ξ,22E)-Cholesta-5,22-dien-3-ol [ACD/IUPAC Name]
(3β,13ξ,17ξ,22E)-Cholesta-5,22-dién-3-ol [French] [ACD/IUPAC Name]
Cholesta-5,22-dien-3-ol, (3β,13ξ,17ξ,22E)- [ACD/Index Name]
34347-28-9 [RN]
CHOLESTA-5,22-DIEN-3-OL,(3B,22E)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 479.9±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 208.3±12.4 °C
Index of Refraction: 1.536
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.33
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 861948.00
ACD/KOC (pH 5.5): 616859.69
ACD/LogD (pH 7.4): 8.11
ACD/BCF (pH 7.4): 861948.00
ACD/KOC (pH 7.4): 616859.69
Polar Surface Area: 20 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 384.8±5.0 cm3

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