ChemSpider 2D Image | (~2~H_3_)Methyl (3alpha,14alpha,16alpha)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate | C21H23D3N2O3

(2H3)Methyl (3α,14α,16α)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate

  • Molecular FormulaC21H23D3N2O3
  • Average mass357.461 Da
  • Monoisotopic mass357.213165 Da
  • ChemSpider ID110417904

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl (3α,14α,16α)-14-hydroxy-14,15-dihydroeburnamenine-14-carboxylate [ACD/IUPAC Name]
(2H3)Methyl-(3α,14α,16α)-14-hydroxy-14,15-dihydroeburnamenin-14-carboxylat [German] [ACD/IUPAC Name]
(3α,14α,16α)-14-Hydroxy-14,15-dihydroeburnamenine-14-carboxylate de (2H3)méthyle [French] [ACD/IUPAC Name]
Eburnamenine-14-carboxylic acid, 14,15-dihydro-14-hydroxy-, methyl-d3 ester, (3α,14α,16α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.27
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 44.09
ACD/KOC (pH 7.4): 318.61
Polar Surface Area: 55 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 259.6±7.0 cm3

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