ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,22R)-9,22-Dihydroxycholest-7-ene-3,4,6-triyl triacetate | C33H52O8

(3β,4β,5α,6α,22R)-9,22-Dihydroxycholest-7-ene-3,4,6-triyl triacetate

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID9988522

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,4β,5α,6α,22R)-9,22-Dihydroxycholest-7-en-3,4,6-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,4β,5α,6α,22R)-9,22-Dihydroxycholest-7-ene-3,4,6-triyl triacetate [ACD/IUPAC Name]
Cholest-7-ene-3,4,6,9,22-pentol, 3,4,6-triacetate, (3β,4β,5α,6α,22R)- [ACD/Index Name]
Triacétate de (3β,4β,5α,6α,22R)-9,22-dihydroxycholest-7-ène-3,4,6-triyle [French] [ACD/IUPAC Name]
Agosterol E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444647/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.7±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: 189.2±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10198.60
ACD/KOC (pH 5.5): 25757.43
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10198.60
ACD/KOC (pH 7.4): 25757.43
Polar Surface Area: 119 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 495.1±5.0 cm3

Click to predict properties on the Chemicalize site


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