ChemSpider 2D Image | 4-Nitrobenzyl N~2~,N~6~-bis[(benzyloxy)carbonyl]lysinate | C29H31N3O8

4-Nitrobenzyl N2,N6-bis[(benzyloxy)carbonyl]lysinate

  • Molecular FormulaC29H31N3O8
  • Average mass549.572 Da
  • Monoisotopic mass549.211121 Da
  • ChemSpider ID35466833

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Nitrobenzyl N2,N6-bis[(benzyloxy)carbonyl]lysinate [ACD/IUPAC Name]
4-Nitrobenzyl-N2,N6-bis[(benzyloxy)carbonyl]lysinat [German] [ACD/IUPAC Name]
Lysine, N2,N6-bis[(phenylmethoxy)carbonyl]-, (4-nitrophenyl)methyl ester [ACD/Index Name]
N2,N6-Bis[(benzyloxy)carbonyl]lysinate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
(4-nitrophenyl)methyl (2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoate
(4-Nitrophenyl)methyl N2,N6-bis[(benzyloxy)carbonyl]-L-lysinate
(S)-4-nitrobenzyl 2,6-bis(((benzyloxy)carbonyl)amino)hexanoate
1331899-68-3 [RN]
N,N???-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester
N,N'-Bis(benzyloxycarbonyl)-L-lysine 4-Nitrobenzyl Ester

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 735.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.4±3.0 kJ/mol
    Flash Point: 398.9±32.9 °C
    Index of Refraction: 1.588
    Molar Refractivity: 145.5±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 3
    ACD/LogP: 5.79
    ACD/LogD (pH 5.5): 5.26
    ACD/BCF (pH 5.5): 5863.88
    ACD/KOC (pH 5.5): 17332.38
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5861.71
    ACD/KOC (pH 7.4): 17325.97
    Polar Surface Area: 149 Å2
    Polarizability: 57.7±0.5 10-24cm3
    Surface Tension: 53.4±3.0 dyne/cm
    Molar Volume: 432.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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