ChemSpider 2D Image | (3beta)-3-[(4-Carboxybutanoyl)oxy]-11-oxoolean-12-en-30-oic acid | C35H52O7

(3β)-3-[(4-Carboxybutanoyl)oxy]-11-oxoolean-12-en-30-oic acid

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID23342062

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,20β)-3-(4-Carboxy-1-oxobutoxy)-11-oxoolean-12-en-29-oic acid
(3β)-3-[(4-Carboxybutanoyl)oxy]-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-[(4-Carboxybutanoyl)oxy]-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
52048-37-0 [RN]
Acide (3β)-3-[(4-carboxybutanoyl)oxy]-11-oxooléan-12-én-30-oïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[(3β)-30-hydroxy-11,30-dioxoolean-12-en-3-yl] ester [ACD/Index Name]
3β-O-Glutaryl-18-β-glycyrrhetinic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444697/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 213.8±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 3165.92
ACD/KOC (pH 5.5): 3432.76
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 4.32
ACD/KOC (pH 7.4): 4.69
Polar Surface Area: 118 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 491.5±5.0 cm3

Click to predict properties on the Chemicalize site


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