ChemSpider 2D Image | (3alpha,16alpha)-(9,10,11,12-~2~H_4_)Eburnamenine-14-carboxylic acid | C20H18D4N2O2

(3α,16α)-(9,10,11,12-2H4)Eburnamenine-14-carboxylic acid

  • Molecular FormulaC20H18D4N2O2
  • Average mass326.426 Da
  • Monoisotopic mass326.193237 Da
  • ChemSpider ID58782122

  • 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)-(9,10,11,12-2H4)Eburnamenin-14-carbonsäure [German] [ACD/IUPAC Name]
(3α,16α)-(9,10,11,12-2H4)Eburnamenine-14-carboxylic acid [ACD/IUPAC Name]
Eburnamenine-9,10,11,12-d4-14-carboxylic acid, (3α,16α)- [ACD/Index Name]
1329624-60-3 [RN]
apovincaminic acid-d4

    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

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