ChemSpider 2D Image | Methyl 2-formyl-3,12-dioxooleana-1,9(11)-dien-28-oate | C32H44O5

Methyl 2-formyl-3,12-dioxooleana-1,9(11)-dien-28-oate

  • Molecular FormulaC32H44O5
  • Average mass508.689 Da
  • Monoisotopic mass508.318878 Da
  • ChemSpider ID8848595

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-Formyl-3,12-dioxooléana-1,9(11)-dién-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-formyl-3,12-dioxooleana-1,9(11)-dien-28-oate [ACD/IUPAC Name]
Methyl-2-formyl-3,12-dioxooleana-1,9(11)-dien-28-oat [German] [ACD/IUPAC Name]
Oleana-1,9(11)-dien-28-oic acid, 2-formyl-3,12-dioxo-, methyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 254.3±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26103.86
ACD/KOC (pH 5.5): 50473.40
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26103.86
ACD/KOC (pH 7.4): 50473.40
Polar Surface Area: 78 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 441.6±5.0 cm3

Click to predict properties on the Chemicalize site


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