ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucylphenylalaninate | C27H36N2O5

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucylphenylalaninate

  • Molecular FormulaC27H36N2O5
  • Average mass468.585 Da
  • Monoisotopic mass468.262421 Da
  • ChemSpider ID18812959

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucylphenylalaninate [ACD/IUPAC Name]
BenzylN-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-leucylphenylalaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-leucylphénylalaninate de benzyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-L-leucyl-, phenylmethyl ester [ACD/Index Name]
(S)-benzyl 2-((S)-2-((tert-butoxycarbonyl)amino)-4-methylpentanamido)-3-phenylpropanoate
(S)-Benzyl 2-((S)-2-(tert-butoxycarbonylamino)-4-methylpentanamido)-3-phenylpropanoate
70637-26-2 [RN]
benzyl (2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]-3-phenylpropanoate
benzyl (tert-butoxycarbonyl)-L-leucyl-L-phenylalaninate
BOC-Leu-Phe-O-benzyl
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 629.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 334.5±31.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 131.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 5.76
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4230.67
    ACD/KOC (pH 5.5): 13720.72
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4229.72
    ACD/KOC (pH 7.4): 13717.63
    Polar Surface Area: 94 Å2
    Polarizability: 52.0±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 420.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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