ChemSpider 2D Image | N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-L-allothreonine | C26H39N3O7

N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-L-allothreonine

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID22875479

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

L-Allothreonine, N-[[trans-4-[[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]cyclohexyl]carbonyl]- [ACD/Index Name]
N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-L-allothreonin [German] [ACD/IUPAC Name]
N-[(trans-4-{[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]methyl}cyclohexyl)carbonyl]-L-allothreonine [ACD/IUPAC Name]
N-[(trans-4-{[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)amino]méthyl}cyclohexyl)carbonyl]-L-allothréonine [French] [ACD/IUPAC Name]
1173688-90-8 [RN]
MolPort-002-530-145
STOCK1N-58314

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 802.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 122.4±3.0 kJ/mol
    Flash Point: 439.3±34.3 °C
    Index of Refraction: 1.542
    Molar Refractivity: 132.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.09
    ACD/LogD (pH 7.4): -1.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 154 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 421.4±3.0 cm3

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