ChemSpider 2D Image | (3beta,5alpha,6alpha,7alpha,11alpha)-5,11-Dihydroxycholest-8-ene-3,6,7-triyl triacetate | C33H52O8

(3β,5α,6α,7α,11α)-5,11-Dihydroxycholest-8-ene-3,6,7-triyl triacetate

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID8730574

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,5α,6α,7α,11α)-5,11-Dihydroxycholest-8-en-3,6,7-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,5α,6α,7α,11α)-5,11-Dihydroxycholest-8-ene-3,6,7-triyl triacetate [ACD/IUPAC Name]
Cholest-8-ene-3,5,6,7,11-pentol, 3,6,7-triacetate, (3β,5α,6α,7α,11α)- [ACD/Index Name]
Triacétate de (3β,5α,6α,7α,11α)-5,11-dihydroxycholest-8-ène-3,6,7-triyle [French] [ACD/IUPAC Name]
cholest-8-ene-pentol 3,6,7-triacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451438/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 632.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.1±6.0 kJ/mol
Flash Point: 189.4±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.10
ACD/BCF (pH 5.5): 25326.24
ACD/KOC (pH 5.5): 49392.52
ACD/LogD (pH 7.4): 6.10
ACD/BCF (pH 7.4): 25326.15
ACD/KOC (pH 7.4): 49392.36
Polar Surface Area: 119 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 494.4±5.0 cm3

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