ChemSpider 2D Image | N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-valyl-L-threonine | C26H39N3O7

N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-valyl-L-threonine

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID17469051

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Threonine, N-[[1-[(1,1-dimethylethoxy)carbonyl]-4-phenyl-4-piperidinyl]carbonyl]-D-valyl- [ACD/Index Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-valyl-L-threonin [German] [ACD/IUPAC Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-D-valyl-L-threonine [ACD/IUPAC Name]
N-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-D-valyl-L-thréonine [French] [ACD/IUPAC Name]
(2S)-2-((R)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-3-methylbutanamido)-3-hydroxybutanoic acid
(2S)-3-hydroxy-2-[[(2R)-3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanoyl]amino]butanoic acid
956813-66-4 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 751.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 114.9±3.0 kJ/mol
    Flash Point: 408.2±32.9 °C
    Index of Refraction: 1.544
    Molar Refractivity: 132.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): -0.24
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.05
    ACD/LogD (pH 7.4): -1.26
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 419.0±3.0 cm3

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