ChemSpider 2D Image | 4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine | C29H30N2O6

4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine

  • Molecular FormulaC29H30N2O6
  • Average mass502.558 Da
  • Monoisotopic mass502.210388 Da
  • ChemSpider ID3899861

More details:

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

4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanin [German] [ACD/IUPAC Name]
4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-N-{[(2-methyl-2-propanyl)oxy]carbonyl}phenylalanine [ACD/IUPAC Name]
4-{[(9H-Fluorén-9-ylméthoxy)carbonyl]amino}-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}phénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- [ACD/Index Name]
(2S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(methyldisulfanyl)methylbenzene
(R)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
(S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
114346-31-5 [RN]
173054-11-0 [RN]
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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: 671.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.6±3.0 kJ/mol
    Flash Point: 359.6±31.5 °C
    Index of Refraction: 1.622
    Molar Refractivity: 138.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.18
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 102.69
    ACD/KOC (pH 5.5): 255.68
    ACD/LogD (pH 7.4): 2.08
    ACD/BCF (pH 7.4): 3.19
    ACD/KOC (pH 7.4): 7.94
    Polar Surface Area: 114 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 55.7±3.0 dyne/cm
    Molar Volume: 392.4±3.0 cm3

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