ChemSpider 2D Image | (2alpha,3beta,5alpha,6beta,11alpha)-2,3,5,6,9,19-Hexahydroxycholest-7-en-11-yl acetate | C29H48O8

(2α,3β,5α,6β,11α)-2,3,5,6,9,19-Hexahydroxycholest-7-en-11-yl acetate

  • Molecular FormulaC29H48O8
  • Average mass524.687 Da
  • Monoisotopic mass524.334900 Da
  • ChemSpider ID10249061

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β,5α,6β,11α)-2,3,5,6,9,19-Hexahydroxycholest-7-en-11-yl acetate [ACD/IUPAC Name]
(2α,3β,5α,6β,11α)-2,3,5,6,9,19-Hexahydroxycholest-7-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2α,3β,5α,6β,11α)-2,3,5,6,9,19-hexahydroxycholest-7-én-11-yle [French] [ACD/IUPAC Name]
Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11-acetate, (2α,3β,5α,6β,11α)- [ACD/Index Name]
5a-cholest-7-ene-heptol 11-acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±6.0 kJ/mol
Flash Point: 200.9±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.15
ACD/KOC (pH 5.5): 1528.37
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.15
ACD/KOC (pH 7.4): 1528.35
Polar Surface Area: 148 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

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