ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-4-nitrophenylalanine | C17H16N2O6

N-[(Benzyloxy)carbonyl]-4-nitrophenylalanine

  • Molecular FormulaC17H16N2O6
  • Average mass344.319 Da
  • Monoisotopic mass344.100830 Da
  • ChemSpider ID20193840

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[(Benzyloxy)carbonyl]-4-nitrophenylalanin [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-4-nitrophenylalanine [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-4-nitrophénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, 4-nitro-N-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
(2R)-2-{[(benzyloxy)carbonyl]amino}-3-(4-nitrophenyl)propanoic acid
117402-88-7 [RN]
4-nitro-N-[(phenylmethoxy)carbonyl]- D-Phenylalanine
Cbz-4-Nitro-D-Phenylalanine
DS-19488
MFCD08275431
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 593.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.0±3.0 kJ/mol
    Flash Point: 312.5±30.1 °C
    Index of Refraction: 1.613
    Molar Refractivity: 87.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.31
    ACD/LogD (pH 5.5): 0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.11
    ACD/LogD (pH 7.4): -0.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 121 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 60.8±3.0 dyne/cm
    Molar Volume: 251.6±3.0 cm3

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