ChemSpider 2D Image | Methyl (3alpha,16alpha)-(10,12,18,19-~2~H_4_)eburnamenine-14-carboxylate | C21H20D4N2O2

Methyl (3α,16α)-(10,12,18,19-2H4)eburnamenine-14-carboxylate

  • Molecular FormulaC21H20D4N2O2
  • Average mass340.452 Da
  • Monoisotopic mass340.208893 Da
  • ChemSpider ID110417963

  • 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

(3α,16α)-(10,12,18,19-2H4)Eburnamenine-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
Eburnamenine-10,12,18,19-d4-14-carboxylic acid, methyl ester, (3α,16α)- [ACD/Index Name]
Methyl (3α,16α)-(10,12,18,19-2H4)eburnamenine-14-carboxylate [ACD/IUPAC Name]
Methyl-(3α,16α)-(10,12,18,19-2H4)eburnamenin-14-carboxylat [German] [ACD/IUPAC 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

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