Found 4 results

Search term: MADUVMLGQASXOK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-5-Methyl-3-{[(~2~H_3_)methylamino]methyl}(2,2-~2~H_2_)hexanoic acid | C9H14D5NO2

(3S)-5-Methyl-3-{[(2H3)methylamino]methyl}(2,2-2H2)hexanoic acid

  • Molecular FormulaC9H14D5NO2
  • Average mass178.283 Da
  • Monoisotopic mass178.172958 Da
  • ChemSpider ID48063218

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-5-Methyl-3-{[(2H3)methylamino]methyl}(2,2-2H2)hexanoic acid [ACD/IUPAC Name]
(3S)-5-Methyl-3-{[(2H3)methylamino]methyl}(2,2-2H2)hexansäure [German] [ACD/IUPAC Name]
1246820-67-6 [RN]
Acide (3S)-5-méthyl-3-{[(2H3)méthylamino]méthyl}(2,2-2H2)hexanoïque [French] [ACD/IUPAC Name]
Hexanoic-2,2-d2 acid, 5-methyl-3-[(methyl-d3-amino)methyl]-, (3S)- [ACD/Index Name]
(3S)-2,2-dideuterio-5-methyl-3-[(trideuteriomethylamino)methyl]hexanoic acid

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 281.2±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 57.2±6.0 kJ/mol
    Flash Point: 123.9±22.6 °C
    Index of Refraction: 1.451
    Molar Refractivity: 48.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.35
    ACD/LogD (pH 5.5): -1.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 49 Å2
    Polarizability: 19.4±0.5 10-24cm3
    Surface Tension: 33.1±3.0 dyne/cm
    Molar Volume: 181.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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