ChemSpider 2D Image | (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}(~2~H_4_)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) | C19H28D4N2O5

(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}(2H4)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC19H28D4N2O5
  • Average mass372.492 Da
  • Monoisotopic mass372.256226 Da
  • ChemSpider ID48062494

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}(2H4)propanoyl]octahydro-1H-indol-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-Ethoxy-1-oxo-2-pentanyl]amino}(2H4)propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S,3aS,7aS)-1-[(2S)-2-{[(2S)-1-éthoxy-1-oxo-2-pentanyl]amino}(2H4)propanoyl]octahydro-1H-indole-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
(2S,3aS,7aS)-1-[(2S)-2,3,3,3-tetradeuterio-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
1356929-58-2 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 537.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±6.0 kJ/mol
    Flash Point: 278.8±28.7 °C
    Index of Refraction: 1.512
    Molar Refractivity: 96.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 3.36
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.83
    ACD/LogD (pH 7.4): -0.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 96 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 44.9±3.0 dyne/cm
    Molar Volume: 320.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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