ChemSpider 2D Image | (17xi)-3-Hydroxycholest-5-en-7-one | C27H44O2

(17ξ)-3-Hydroxycholest-5-en-7-one

  • Molecular FormulaC27H44O2
  • Average mass400.637 Da
  • Monoisotopic mass400.334137 Da
  • ChemSpider ID59651438
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

(17ξ)-3-Hydroxycholest-5-en-7-on [German] [ACD/IUPAC Name]
(17ξ)-3-Hydroxycholest-5-en-7-one [ACD/IUPAC Name]
(17ξ)-3-Hydroxycholest-5-én-7-one [French] [ACD/IUPAC Name]
Cholest-5-en-7-one, 3-hydroxy-, (17ξ)- [ACD/Index Name]
(1S,2R,10S,11S,15R)-5-hydroxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-9-one
3b-Hydroxycholest-5-en-7-one
566-28-9 [RN]
7-KETOCHOLESTEROL
7-OXOCHOLESTEROL
Cholest-5-en-3b-ol-7-one
More...

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 516.7±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 218.5±16.9 °C
Index of Refraction: 1.531
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21270.67
ACD/KOC (pH 5.5): 43592.52
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21270.67
ACD/KOC (pH 7.4): 43592.52
Polar Surface Area: 37 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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