ChemSpider 2D Image | (5alpha,6alpha)-5,6-Epoxycholestan-3-ol | C27H46O2

(5α,6α)-5,6-Epoxycholestan-3-ol

  • Molecular FormulaC27H46O2
  • Average mass402.653 Da
  • Monoisotopic mass402.349792 Da
  • ChemSpider ID18561968

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1S,2R,7R,9S,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.0²,?.0?,?.0¹²,¹?]octadecan-5-ol
(5α,6α)-5,6-Epoxycholestan-3-ol [ACD/IUPAC Name]
(5α,6α)-5,6-Epoxycholestan-3-ol [German] [ACD/IUPAC Name]
(5α,6α)-5,6-Époxycholestan-3-ol [French] [ACD/IUPAC Name]
Cholestan-3-ol, 5,6-epoxy-, (5α,6α)- [ACD/Index Name]
(4aR,5aS,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
cholesterol α-epoxide
MFCD00046980 [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: 497.7±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 200.9±15.5 °C
Index of Refraction: 1.533
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 112079.38
ACD/KOC (pH 5.5): 143228.27
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112079.38
ACD/KOC (pH 7.4): 143228.27
Polar Surface Area: 33 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 386.5±5.0 cm3

Click to predict properties on the Chemicalize site


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