ChemSpider 2D Image | Ethyl (3xi,16alpha)-eburnamenine-14-carboxylate | C22H26N2O2

Ethyl (3ξ,16α)-eburnamenine-14-carboxylate

  • Molecular FormulaC22H26N2O2
  • Average mass350.454 Da
  • Monoisotopic mass350.199432 Da
  • ChemSpider ID57426201

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3ξ,16α)-Eburnamenine-14-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Eburnamenine-14-carboxylic acid, ethyl ester, (3ξ,16α)- [ACD/Index Name]
Ethyl (3ξ,16α)-eburnamenine-14-carboxylate [ACD/IUPAC Name]
Ethyl-(3ξ,16α)-eburnamenin-14-carboxylat [German] [ACD/IUPAC Name]
42971-09-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 419.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.3±3.0 kJ/mol
Flash Point: 207.5±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 10.21
ACD/KOC (pH 5.5): 40.79
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 513.90
ACD/KOC (pH 7.4): 2054.07
Polar Surface Area: 34 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 273.1±7.0 cm3

Click to predict properties on the Chemicalize site


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