ChemSpider 2D Image | 4,4'-[(3beta,7alpha,17xi)-Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid) | C35H54O8

4,4'-[(3β,7α,17ξ)-Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid)

  • Molecular FormulaC35H54O8
  • Average mass602.799 Da
  • Monoisotopic mass602.381897 Da
  • ChemSpider ID153053

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

4,4'-[(3β,7α,17ξ)-Cholest-5-en-3,7-diylbis(oxy)]bis(4-oxobutansäure) [German] [ACD/IUPAC Name]
4,4'-[(3β,7α,17ξ)-Cholest-5-ene-3,7-diylbis(oxy)]bis(4-oxobutanoic acid) [ACD/IUPAC Name]
Acide 4,4'-[(3β,7α,17ξ)-cholest-5-ène-3,7-diylbis(oxy)]bis(4-oxobutanoïque) [French] [ACD/IUPAC Name]
Butanedioic acid, 1,1'-(3β,7α,17ξ)-cholest-5-ene-3,7-diyl ester [ACD/Index Name]
7α-Hydroxycholesterol bishemisuccinate
96426-15-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 215.6±26.4 °C
Index of Refraction: 1.541
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 1879.71
ACD/KOC (pH 5.5): 1703.21
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 6.47
Polar Surface Area: 127 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 517.0±5.0 cm3

Click to predict properties on the Chemicalize site


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