ChemSpider 2D Image | Carboxymethyl oleanolate | C32H50O5

Carboxymethyl oleanolate

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID26519282

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{[(3β)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}acetic acid [ACD/IUPAC Name]
{[(3β)-3-Hydroxy-28-oxoolean-12-en-28-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
892869-45-3 [RN]
Acide {[(3β)-3-hydroxy-28-oxooléan-12-én-28-yl]oxy}acétique [French] [ACD/IUPAC Name]
Carboxymethyl oleanolate
Olean-12-en-28-oic acid, 3-hydroxy-, carboxymethyl ester, (3β)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797024/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 184.7±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.16
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 2827.27
ACD/KOC (pH 5.5): 1641.50
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 351.55
ACD/KOC (pH 7.4): 204.11
Polar Surface Area: 84 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 449.8±5.0 cm3

Click to predict properties on the Chemicalize site


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