ChemSpider 2D Image | Methyl (2E)-3-oxo-2-(4-pyridinylmethylene)urs-12-en-24-oate | C37H51NO3

Methyl (2E)-3-oxo-2-(4-pyridinylmethylene)urs-12-en-24-oate

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID58920688

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-Oxo-2-(4-pyridinylméthylène)urs-12-én-24-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E)-3-oxo-2-(4-pyridinylmethylene)urs-12-en-24-oate [ACD/IUPAC Name]
Methyl-(2E)-3-oxo-2-(4-pyridinylmethylen)urs-12-en-24-oat [German] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 3-oxo-2-(4-pyridinylmethylene)-, methyl ester, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 634.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 163.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 10.37
ACD/LogD (pH 5.5): 9.79
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4839655.50
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5338677.50
Polar Surface Area: 56 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 499.9±5.0 cm3

Click to predict properties on the Chemicalize site


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