ChemSpider 2D Image | (2alpha,3beta,5alpha,6beta,11alpha)-2,3,5,6,9-Pentahydroxycholest-7-ene-11,19-diyl diacetate | C31H50O9

(2α,3β,5α,6β,11α)-2,3,5,6,9-Pentahydroxycholest-7-ene-11,19-diyl diacetate

  • Molecular FormulaC31H50O9
  • Average mass566.723 Da
  • Monoisotopic mass566.345459 Da
  • ChemSpider ID10249055

  • 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-Pentahydroxycholest-7-en-11,19-diyl-diacetat [German] [ACD/IUPAC Name]
(2α,3β,5α,6β,11α)-2,3,5,6,9-Pentahydroxycholest-7-ene-11,19-diyl diacetate [ACD/IUPAC Name]
Cholest-7-ene-2,3,5,6,9,11,19-heptol, 11,19-diacetate, (2α,3β,5α,6β,11α)- [ACD/Index Name]
Diacétate de (2α,3β,5α,6β,11α)-2,3,5,6,9-pentahydroxycholest-7-ène-11,19-diyle [French] [ACD/IUPAC Name]
5a-cholest-7-ene-heptol 11,19-diacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 199.9±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 536.33
ACD/KOC (pH 5.5): 3128.47
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.32
ACD/KOC (pH 7.4): 3128.41
Polar Surface Area: 154 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

Click to predict properties on the Chemicalize site


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