ChemSpider 2D Image | N-Methyl-N,1-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-D-histidine | C17H27N3O6

N-Methyl-N,1-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-D-histidine

  • Molecular FormulaC17H27N3O6
  • Average mass369.413 Da
  • Monoisotopic mass369.189972 Da
  • ChemSpider ID58171591

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-N-methyl- [ACD/Index Name]
N-Methyl-N,1-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-D-histidin [German] [ACD/IUPAC Name]
N-Methyl-N,1-bis{[(2-methyl-2-propanyl)oxy]carbonyl}-D-histidine [ACD/IUPAC Name]
N-Méthyl-N,1-bis{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-histidine [French] [ACD/IUPAC Name]
2044710-77-0 [RN]
Boc-N-Me-D-His(Boc)-OH
MFCD30475951

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 505.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.6±3.0 kJ/mol
    Flash Point: 259.5±32.9 °C
    Index of Refraction: 1.525
    Molar Refractivity: 95.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 0.03
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.36
    ACD/LogD (pH 7.4): -1.33
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 111 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 40.1±7.0 dyne/cm
    Molar Volume: 310.8±7.0 cm3

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