ChemSpider 2D Image | (5alpha,9beta,16beta,24R)-25-Hydroxy-14-methyl-16,24-epoxy-9,19-cyclocholestan-3-one | C28H44O3

(5α,9β,16β,24R)-25-Hydroxy-14-methyl-16,24-epoxy-9,19-cyclocholestan-3-one

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID31148042

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5α,9β,16β,24R)-25-Hydroxy-14-methyl-16,24-epoxy-9,19-cyclocholestan-3-on [German] [ACD/IUPAC Name]
(5α,9β,16β,24R)-25-Hydroxy-14-methyl-16,24-epoxy-9,19-cyclocholestan-3-one [ACD/IUPAC Name]
(5α,9β,16β,24R)-25-Hydroxy-14-méthyl-16,24-époxy-9,19-cyclocholestan-3-one [French] [ACD/IUPAC Name]
9,19-Cyclocholestan-3-one, 16,24-epoxy-25-hydroxy-14-methyl-, (5α,9β,16β,24R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.7±6.0 kJ/mol
Flash Point: 174.5±22.2 °C
Index of Refraction: 1.559
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7708.99
ACD/KOC (pH 5.5): 21081.60
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7708.99
ACD/KOC (pH 7.4): 21081.60
Polar Surface Area: 47 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 380.2±5.0 cm3

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