ChemSpider 2D Image | 4-Fluoro-alpha-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine | C15H20FNO4

4-Fluoro-α-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID27464849

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Fluoro-α-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanine [ACD/IUPAC Name]
4-Fluoro-α-méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-phénylalanine [French] [ACD/IUPAC Name]
4-Fluor-α-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-phenylalanin [German] [ACD/IUPAC Name]
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-α-methyl- [ACD/Index Name]
(2R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-FLUOROPHENYL)-2-METHYLPROPANOIC ACID
(2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(4-FLUOROPHENYL)-2-METHYLPROPANOIC ACID
[889113-64-8] [RN]
1217754-68-1 [RN]
889113-64-8 [RN]
Boc-a-methyl-D-4-Fluorophenylalanine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 436.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 217.8±27.3 °C
    Index of Refraction: 1.515
    Molar Refractivity: 75.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.37
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.11
    ACD/KOC (pH 5.5): 10.08
    ACD/LogD (pH 7.4): -0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 249.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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