ChemSpider 2D Image | Z-ASP(OTBU)-ONP | C22H24N2O8

Z-ASP(OTBU)-ONP

  • Molecular FormulaC22H24N2O8
  • Average mass444.435 Da
  • Monoisotopic mass444.153259 Da
  • ChemSpider ID28536313

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

17543-17-8 [RN]
4-(2-Methyl-2-propanyl) 1-(4-nitrophenyl) N-[(benzyloxy)carbonyl]-L-aspartate [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-1-(4-nitrophenyl)-N-[(benzyloxy)carbonyl]-L-aspartat [German] [ACD/IUPAC Name]
L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-aspartate de 4-(2-méthyl-2-propanyle) et de 1-(4-nitrophényle) [French] [ACD/IUPAC Name]
Z-ASP(OTBU)-ONP
(S)-4-tert-Butyl 1-(4-nitrophenyl) 2-(((benzyloxy)carbonyl)amino)succinate
(S)-4-tert-Butyl 1-(4-nitrophenyl)-2-(((benzyloxy)carbonyl)amino)succinate
(S)-4-tert-Butyl1-(4-nitrophenyl)2-(((benzyloxy)carbonyl)amino)succinate
[17543-17-8] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 609.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.6±3.0 kJ/mol
    Flash Point: 322.6±31.5 °C
    Index of Refraction: 1.562
    Molar Refractivity: 112.8±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 5.30
    ACD/LogD (pH 5.5): 4.66
    ACD/BCF (pH 5.5): 2063.46
    ACD/KOC (pH 5.5): 8206.94
    ACD/LogD (pH 7.4): 4.66
    ACD/BCF (pH 7.4): 2059.31
    ACD/KOC (pH 7.4): 8190.43
    Polar Surface Area: 137 Å2
    Polarizability: 44.7±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 347.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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