ChemSpider 2D Image | 30-Methoxy-28-(2-methyl-1H-imidazol-1-yl)lup-20(29)-ene-3,28-dione | C35H52N2O3

30-Methoxy-28-(2-methyl-1H-imidazol-1-yl)lup-20(29)-ene-3,28-dione

  • Molecular FormulaC35H52N2O3
  • Average mass548.799 Da
  • Monoisotopic mass548.397766 Da
  • ChemSpider ID25028052

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

30-Methoxy-28-(2-methyl-1H-imidazol-1-yl)lup-20(29)-en-3,28-dion [German] [ACD/IUPAC Name]
30-Methoxy-28-(2-methyl-1H-imidazol-1-yl)lup-20(29)-ene-3,28-dione [ACD/IUPAC Name]
30-Méthoxy-28-(2-méthyl-1H-imidazol-1-yl)lup-20(29)-ène-3,28-dione [French] [ACD/IUPAC Name]
Lup-20(29)-ene-3,28-dione, 30-methoxy-28-(2-methyl-1H-imidazol-1-yl)- [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: 638.1±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.7±33.2 °C
Index of Refraction: 1.611
Molar Refractivity: 159.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 6.91
ACD/BCF (pH 5.5): 103627.79
ACD/KOC (pH 5.5): 132452.25
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 111892.73
ACD/KOC (pH 7.4): 143016.13
Polar Surface Area: 61 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 460.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement