ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,17xi,24S)-(26,26,26,27,27,27-~2~H_6_)Cholest-5-ene-3,24,25-triol | C27H40D6O3

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,24S)-(26,26,26,27,27,27-2H6)Cholest-5-ene-3,24,25-triol

  • Molecular FormulaC27H40D6O3
  • Average mass424.689 Da
  • Monoisotopic mass424.382355 Da
  • ChemSpider ID23932859

  • defined stereocentres - 2 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,24S)-(26,26,26,27,27,27-2H6)Cholest-5-en-3,24,25-triol [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,24S)-(26,26,26,27,27,27-2H6)Cholest-5-ene-3,24,25-triol [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,24S)-(26,26,26,27,27,27-2H6)Cholest-5-ène-3,24,25-triol [French] [ACD/IUPAC Name]
Cholest-5-ene-26,26,26,27,27,27-d6-3,24,25-triol, (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,24S)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 554.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±0.0 kJ/mol
Flash Point: 233.6±0.0 °C
Index of Refraction: 1.550
Molar Refractivity: 123.1±0.0 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20564.20
ACD/KOC (pH 5.5): 42551.17
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20564.20
ACD/KOC (pH 7.4): 42551.17
Polar Surface Area: 61 Å2
Polarizability: 48.8±0.0 10-24cm3
Surface Tension: 45.4±0.0 dyne/cm
Molar Volume: 386.4±0.0 cm3

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