ChemSpider 2D Image | (~2~H_3_)Methyl (3alpha,16alpha)-eburnamenine-14-carboxylate | C21H21D3N2O2

(2H3)Methyl (3α,16α)-eburnamenine-14-carboxylate

  • Molecular FormulaC21H21D3N2O2
  • Average mass339.446 Da
  • Monoisotopic mass339.202606 Da
  • ChemSpider ID58782121

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (3α,16α)-eburnamenine-14-carboxylate [ACD/IUPAC Name]
(2H3)Methyl-(3α,16α)-eburnamenin-14-carboxylat [German] [ACD/IUPAC Name]
Eburnamenine-14-carboxylic acid, methyl-d3 ester, (3α,16α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±28.7 °C
Index of Refraction: 1.678
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 31.63
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 342.24
ACD/KOC (pH 7.4): 1572.47
Polar Surface Area: 34 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 257.0±7.0 cm3

Click to predict properties on the Chemicalize site


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