ChemSpider 2D Image | Boc-4-acetyl-L-phenylalanine | C16H21NO5

Boc-4-acetyl-L-phenylalanine

  • Molecular FormulaC16H21NO5
  • Average mass307.342 Da
  • Monoisotopic mass307.141968 Da
  • ChemSpider ID27464832
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-3-(4-Acetylphenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
204856-73-5 [RN]
4-Acetyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
4-Acetyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
4-Acétyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
Boc-4-acetyl-L-phenylalanine
L-Phenylalanine, 4-acetyl-N-[(1,1-dimethylethoxy)carbonyl]- [ACD/Index Name]
(2S)-3-(4-ACETYLPHENYL)-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOIC ACID
(2S)-3-(4-ACETYLPHENYL)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOIC ACID
[204856-73-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 499.0±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.8±3.0 kJ/mol
    Flash Point: 255.6±28.7 °C
    Index of Refraction: 1.531
    Molar Refractivity: 80.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.41
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.49
    ACD/LogD (pH 7.4): -1.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 93 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 260.2±3.0 cm3

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