ChemSpider 2D Image | Methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate | C32H43NO4

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

  • Molecular FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID28493564

More details:

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

2-Cyano-3,12-dioxooléana-1,9(11)-dién-28-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate [ACD/IUPAC Name]
Methyl-2-cyan-3,12-dioxooleana-1,9(11)-dien-28-oat [German] [ACD/IUPAC Name]
Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester [ACD/Index Name]
218600-53-4 [RN]
Bardoxolone methyl [USAN] [Wiki]
Bardoxolone methyl (JAN/USAN)
D09585
methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
MFCD11983137 [MDL number]
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 256.5±21.7 °C
Index of Refraction: 1.559
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55028.50
ACD/KOC (pH 5.5): 86078.48
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55028.50
ACD/KOC (pH 7.4): 86078.48
Polar Surface Area: 84 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement