ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethoxy)-D-phenylalanine | C15H18F3NO5

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethoxy)-D-phenylalanine

  • Molecular FormulaC15H18F3NO5
  • Average mass349.302 Da
  • Monoisotopic mass349.113708 Da
  • ChemSpider ID26951145

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(trifluoromethoxy)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluormethoxy)-D-phenylalanin [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethoxy)-D-phenylalanine [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-(trifluorométhoxy)-D-phénylalanine [French] [ACD/IUPAC Name]
(2R)-2-[(TERT-BUTOXY)CARBONYLAMINO]-3-[3-(TRIFLUOROMETHOXY)PHENYL]PROPANOIC ACID
(2R)-2-[(tert-butoxycarbonyl)amino]-3-[3-(trifluoromethoxy)phenyl]propanoic acid
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-[3-(trifluoromethoxy)phenyl]propanoic acid
(R)-2-TERT-BUTOXYCARBONYLAMINO-3-(3-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
1213920-25-2 [RN]
MFCD07371974
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 429.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.2±3.0 kJ/mol
    Flash Point: 213.5±28.7 °C
    Index of Refraction: 1.489
    Molar Refractivity: 77.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 10.16
    ACD/LogD (pH 7.4): -0.30
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 38.4±3.0 dyne/cm
    Molar Volume: 269.0±3.0 cm3

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