ChemSpider 2D Image | Methyl (5alpha,8alpha,12beta)-12-hydroxycholan-24-oate | C25H42O3

Methyl (5α,8α,12β)-12-hydroxycholan-24-oate

  • Molecular FormulaC25H42O3
  • Average mass390.599 Da
  • Monoisotopic mass390.313385 Da
  • ChemSpider ID62647532
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(5α,8α,12β)-12-Hydroxycholan-24-oate de méthyle [French] [ACD/IUPAC Name]
(5α,8α,9β,12β,17α)-12-Hydroxycholan-24-oate de méthyle [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 12-hydroxy-, methyl ester, (5α,8α,12β)- [ACD/Index Name]
Cholan-24-oic acid, 12-hydroxy-, methyl ester, (5α,8α,9β,12β,17α)- [ACD/Index Name]
Methyl (5α,8α,12β)-12-hydroxycholan-24-oate [ACD/IUPAC Name]
Methyl (5α,8α,9β,12β,17α)-12-hydroxycholan-24-oate [ACD/IUPAC Name]
Methyl-(5α,8α,12β)-12-hydroxycholan-24-oat [German] [ACD/IUPAC Name]
Methyl-(5α,8α,9β,12β,17α)-12-hydroxycholan-24-oat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 474.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.0±6.0 kJ/mol
Flash Point: 177.5±14.0 °C
Index of Refraction: 1.512
Molar Refractivity: 112.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16651.62
ACD/KOC (pH 5.5): 36585.23
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16651.62
ACD/KOC (pH 7.4): 36585.23
Polar Surface Area: 47 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

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