ChemSpider 2D Image | (7alpha,13xi)-7,26-Dihydroxycholest-4-en-3-one | C27H44O3

(7α,13ξ)-7,26-Dihydroxycholest-4-en-3-one

  • Molecular FormulaC27H44O3
  • Average mass416.637 Da
  • Monoisotopic mass416.329041 Da
  • ChemSpider ID58817256

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(7α,13ξ)-7,26-Dihydroxycholest-4-en-3-on [German] [ACD/IUPAC Name]
(7α,13ξ)-7,26-Dihydroxycholest-4-en-3-one [ACD/IUPAC Name]
(7α,13ξ)-7,26-Dihydroxycholest-4-én-3-one [French] [ACD/IUPAC Name]
Cholest-4-en-3-one, 7,26-dihydroxy-, (7α,13ξ)- [ACD/Index Name]
4675-38-1 [RN]
7A,26-DIHYDROXY-4-CHOLESTEN-3-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: 554.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.0±6.0 kJ/mol
Flash Point: 303.2±21.9 °C
Index of Refraction: 1.544
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2748.21
ACD/KOC (pH 5.5): 10075.52
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2748.21
ACD/KOC (pH 7.4): 10075.52
Polar Surface Area: 58 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

Click to predict properties on the Chemicalize site


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