ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(methylsulfonyl)-L-phenylalanine | C15H21NO6S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(methylsulfonyl)-L-phenylalanine

  • Molecular FormulaC15H21NO6S
  • Average mass343.395 Da
  • Monoisotopic mass343.108948 Da
  • ChemSpider ID57605605

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(methylsulfonyl)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(methylsulfonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(methylsulfonyl)-L-phenylalanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-(méthylsulfonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(3-methanesulfonylphenyl)propanoic acid
(S)-2-((tert-Butoxycarbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid
1289646-76-9 [RN]
95%
atoms 24 bonds 24
CS-15773
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 572.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.3±3.0 kJ/mol
    Flash Point: 300.1±30.1 °C
    Index of Refraction: 1.536
    Molar Refractivity: 84.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.25
    ACD/LogD (pH 5.5): -1.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 270.4±3.0 cm3

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