ChemSpider 2D Image | Ethyl N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]tryptophanate | C30H27N3O5

Ethyl N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]tryptophanate

  • Molecular FormulaC30H27N3O5
  • Average mass509.552 Da
  • Monoisotopic mass509.195068 Da
  • ChemSpider ID2348451

More details:

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

Ethyl N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]tryptophanate [ACD/IUPAC Name]
Ethyl-N-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]tryptophanat [German] [ACD/IUPAC Name]
N-[2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phénylpropanoyl]tryptophanate d'éthyle [French] [ACD/IUPAC Name]
Tryptophan, N-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-oxo-3-phenylpropyl]-, ethyl ester [ACD/Index Name]
ethyl 2-(2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamido)-3-(1H-indol-3-yl)propanoate
ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoate
ethyl 2-[2-(1,3-dioxobenzo[c]azolidin-2-yl)-3-phenylpropanoylamino]-3-indol-3-ylpropanoate

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

BAS 00134598 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 765.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.4±3.0 kJ/mol
    Flash Point: 416.6±32.9 °C
    Index of Refraction: 1.664
    Molar Refractivity: 141.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.52
    ACD/LogD (pH 5.5): 4.63
    ACD/BCF (pH 5.5): 1937.16
    ACD/KOC (pH 5.5): 7844.21
    ACD/LogD (pH 7.4): 4.63
    ACD/BCF (pH 7.4): 1937.15
    ACD/KOC (pH 7.4): 7844.20
    Polar Surface Area: 109 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 64.3±3.0 dyne/cm
    Molar Volume: 380.9±3.0 cm3

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