ChemSpider 2D Image | (9xi,10xi,13xi,17xi)-3,25-Dihydroxycholest-8(14)-en-15-one | C27H44O3

(9ξ,10ξ,13ξ,17ξ)-3,25-Dihydroxycholest-8(14)-en-15-one

  • Molecular FormulaC27H44O3
  • Average mass416.637 Da
  • Monoisotopic mass416.329041 Da
  • ChemSpider ID23236267

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(9ξ,10ξ,13ξ,17ξ)-3,25-Dihydroxycholest-8(14)-en-15-on [German] [ACD/IUPAC Name]
(9ξ,10ξ,13ξ,17ξ)-3,25-Dihydroxycholest-8(14)-en-15-one [ACD/IUPAC Name]
(9ξ,10ξ,13ξ,17ξ)-3,25-Dihydroxycholest-8(14)-én-15-one [French] [ACD/IUPAC Name]
Cholest-8(14)-en-15-one, 3,25-dihydroxy-, (9ξ,10ξ,13ξ,17ξ)- [ACD/Index Name]
3-Hydroxy-17-(5-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,10,11,12,13,16,17-tetradecahydro-cyclopenta[a]phenanthren-15-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 549.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.3±6.0 kJ/mol
Flash Point: 300.2±26.6 °C
Index of Refraction: 1.544
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6360.34
ACD/KOC (pH 5.5): 18370.58
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6360.34
ACD/KOC (pH 7.4): 18370.58
Polar Surface Area: 58 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 384.6±5.0 cm3

Click to predict properties on the Chemicalize site


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