ChemSpider 2D Image | Methyl (2alpha)-2-[(dimethylamino)methyl]-3-oxolup-20(29)-en-28-oate | C34H55NO3

Methyl (2α)-2-[(dimethylamino)methyl]-3-oxolup-20(29)-en-28-oate

  • Molecular FormulaC34H55NO3
  • Average mass525.805 Da
  • Monoisotopic mass525.418213 Da
  • ChemSpider ID28521759
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2α)-2-[(Diméthylamino)méthyl]-3-oxolup-20(29)-én-28-oate de méthyle [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 2-[(dimethylamino)methyl]-3-oxo-, methyl ester, (2α)- [ACD/Index Name]
Methyl (2α)-2-[(dimethylamino)methyl]-3-oxolup-20(29)-en-28-oate [ACD/IUPAC Name]
Methyl-(2α)-2-[(dimethylamino)methyl]-3-oxolup-20(29)-en-28-oat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 561.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±23.2 °C
Index of Refraction: 1.511
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.57
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 680.46
ACD/KOC (pH 5.5): 558.01
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 20051.68
ACD/KOC (pH 7.4): 16443.39
Polar Surface Area: 47 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 515.0±3.0 cm3

Click to predict properties on the Chemicalize site






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