ChemSpider 2D Image | Benzyl N-[(benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alaninate | C23H28N2O6

Benzyl N-[(benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alaninate

  • Molecular FormulaC23H28N2O6
  • Average mass428.478 Da
  • Monoisotopic mass428.194733 Da
  • ChemSpider ID31045846

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzyl N-[(benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alaninate [ACD/IUPAC Name]
Benzyl-N-[(benzyloxy)carbonyl]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-L-alaninate de benzyle [French] [ACD/IUPAC Name]
(S)-benzyl 2-(((benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoate
239785-37-6 [RN]
3-(Boc-amino)-N-Cbz-L-alanine phenylmethyl ester
benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-[(tert-butoxycarbonyl)amino]propanoate
benzyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{[(tert-butoxy)carbonyl]amino}propanoate
benzyl (2S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 598.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 315.8±30.1 °C
    Index of Refraction: 1.548
    Molar Refractivity: 114.4±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 1
    ACD/LogP: 5.55
    ACD/LogD (pH 5.5): 4.69
    ACD/BCF (pH 5.5): 2173.12
    ACD/KOC (pH 5.5): 8516.86
    ACD/LogD (pH 7.4): 4.69
    ACD/BCF (pH 7.4): 2171.02
    ACD/KOC (pH 7.4): 8508.62
    Polar Surface Area: 103 Å2
    Polarizability: 45.4±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 360.0±3.0 cm3

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