ChemSpider 2D Image | Boc-p-Isopropylphenyl-L-alanine | C17H25NO4

Boc-p-Isopropylphenyl-L-alanine

  • Molecular FormulaC17H25NO4
  • Average mass307.385 Da
  • Monoisotopic mass307.178345 Da
  • ChemSpider ID24957946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

261360-70-7 [RN]
4-Isopropyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
4-Isopropyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
4-Isopropyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
Boc-p-Isopropylphenyl-L-alanine
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(1-methylethyl)- [ACD/Index Name]
(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-ISOPROPYLPHENYL)PROPANOIC ACID
(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-[4-(PROPAN-2-YL)PHENYL]PROPANOIC ACID
(S)-2-((tert-Butoxycarbonyl)amino)-3-(4-isopropylphenyl)propanoic acid
(S)-2-tert-Butoxycarbonylamino-3-(4-isopropyl-phenyl)-propionic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 455.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 229.3±27.3 °C
    Index of Refraction: 1.519
    Molar Refractivity: 84.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 1.57
    ACD/BCF (pH 5.5): 2.99
    ACD/KOC (pH 5.5): 20.06
    ACD/LogD (pH 7.4): 0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 278.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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