ChemSpider 2D Image | (3alpha)-Eburnamenine-14-carboxylic acid | C20H22N2O2

(3α)-Eburnamenine-14-carboxylic acid

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID25064811

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3α)-Eburnamenin-14-carbonsäure [German] [ACD/IUPAC Name]
(3α)-Eburnamenine-14-carboxylic acid [ACD/IUPAC Name]
Acide (3α)-eburnamenine-14-carboxylique [French] [ACD/IUPAC Name]
Eburnamenine-14-carboxylic acid, (3α)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1207379/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 429.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.8±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 11.18
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 10.91
Polar Surface Area: 45 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 232.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement