Found 3 results

Search term: PRTLPCCWLFLSPD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-oxoolean-12-en-29-oate | C31H48O3

Methyl 3-oxoolean-12-en-29-oate

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID23339077

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3-Oxooléan-12-én-29-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-oxoolean-12-en-29-oate [ACD/IUPAC Name]
Methyl-3-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-oxo-, methyl ester [ACD/Index Name]
3-Oxo-Olean-12-en-29-oic acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL490342/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 217.9±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 8.59
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1126412.00
ACD/LogD (pH 7.4): 8.59
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1126412.00
Polar Surface Area: 43 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 41.1±5.0 dyne/cm
Molar Volume: 438.7±5.0 cm3

Click to predict properties on the Chemicalize site


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