ChemSpider 2D Image | 4-(Cholest-5-en-3-yloxy)-4-oxobutanoic acid | C31H50O4

4-(Cholest-5-en-3-yloxy)-4-oxobutanoic acid

  • Molecular FormulaC31H50O4
  • Average mass486.726 Da
  • Monoisotopic mass486.370911 Da
  • ChemSpider ID20028605

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

4-(Cholest-5-en-3-yloxy)-4-oxobutanoic acid [ACD/IUPAC Name]
4-(Cholest-5-en-3-yloxy)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(cholest-5-én-3-yloxy)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, monocholest-5-en-3-yl ester [ACD/Index Name]
1510-21-0 [RN]
4-[[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
898814-51-2 [RN]
Cholesteryl hemisuccinate
MFCD00037705 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 586.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 179.6±21.7 °C
Index of Refraction: 1.529
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 10.32
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 166642.78
ACD/KOC (pH 5.5): 90717.13
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 2658.37
ACD/KOC (pH 7.4): 1447.17
Polar Surface Area: 64 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 455.5±5.0 cm3

Click to predict properties on the Chemicalize site


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