ChemSpider 2D Image | Methyl (5xi)-12-methoxyibogamine-18-carboxylate | C22H28N2O3

Methyl (5ξ)-12-methoxyibogamine-18-carboxylate

  • Molecular FormulaC22H28N2O3
  • Average mass368.469 Da
  • Monoisotopic mass368.209991 Da
  • ChemSpider ID23344924

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5ξ)-12-Méthoxyibogamine-18-carboxylate de méthyle [French] [ACD/IUPAC Name]
Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester, (5ξ)- [ACD/Index Name]
Methyl (5ξ)-12-methoxyibogamine-18-carboxylate [ACD/IUPAC Name]
Methyl-(5ξ)-12-methoxyibogamin-18-carboxylat [German] [ACD/IUPAC Name]
(6S,7S)-methyl 7-ethyl-2-methoxy-6,6a,7,8,9,10,12,13-octahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole-6-carboxylate
Voacangine [Wiki]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 518.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±3.0 kJ/mol
    Flash Point: 267.3±30.1 °C
    Index of Refraction: 1.631
    Molar Refractivity: 104.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 2.66
    ACD/KOC (pH 5.5): 16.22
    ACD/LogD (pH 7.4): 3.26
    ACD/BCF (pH 7.4): 131.21
    ACD/KOC (pH 7.4): 800.47
    Polar Surface Area: 55 Å2
    Polarizability: 41.4±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 292.7±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement