ChemSpider 2D Image | 4-Nitrophenyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threoninate | C15H20N2O7

4-Nitrophenyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threoninate

  • Molecular FormulaC15H20N2O7
  • Average mass340.328 Da
  • Monoisotopic mass340.127045 Da
  • ChemSpider ID27473638

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Nitrophenyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threoninate [ACD/IUPAC Name]
4-Nitrophenyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-threoninat [German] [ACD/IUPAC Name]
L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-thréoninate de 4-nitrophényle [French] [ACD/IUPAC Name]
(2S,3R)-4-Nitrophenyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoate
[28307-08-6] [RN]
28307-08-6 [RN]
Boc-L-threonine 4-nitrophenyl ester
BOC-L-THREONINE p-NITROPHENYLESTER
Boc-Thr-Onp
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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: 524.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 84.1±3.0 kJ/mol
    Flash Point: 271.2±30.1 °C
    Index of Refraction: 1.542
    Molar Refractivity: 83.4±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.91
    ACD/LogD (pH 5.5): 2.43
    ACD/BCF (pH 5.5): 41.51
    ACD/KOC (pH 5.5): 501.06
    ACD/LogD (pH 7.4): 2.43
    ACD/BCF (pH 7.4): 41.47
    ACD/KOC (pH 7.4): 500.63
    Polar Surface Area: 131 Å2
    Polarizability: 33.0±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 265.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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