ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,17xi)-25-Methylcholest-5-ene-3,22-diol | C28H48O2

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-25-Methylcholest-5-ene-3,22-diol

  • Molecular FormulaC28H48O2
  • Average mass416.680 Da
  • Monoisotopic mass416.365417 Da
  • ChemSpider ID23154025
  • defined stereocentres - 1 of 9 defined stereocentres


More details:






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

(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-25-Methylcholest-5-en-3,22-diol [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-25-Methylcholest-5-ene-3,22-diol [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-25-Méthylcholest-5-ène-3,22-diol [French] [ACD/IUPAC Name]
Cholest-5-ene-3,22-diol, 25-methyl-, (8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [ACD/Index Name]
17-(2-Hydroxy-1,5,5-trimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 521.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 214.4±17.2 °C
Index of Refraction: 1.535
Molar Refractivity: 126.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.01
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 125105.86
ACD/KOC (pH 5.5): 154956.36
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 125105.86
ACD/KOC (pH 7.4): 154956.36
Polar Surface Area: 40 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 405.3±5.0 cm3

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