ChemSpider 2D Image | 3,4-Dimethyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-tryptophanate | C30H26N2O6

3,4-Dimethyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-tryptophanate

  • Molecular FormulaC30H26N2O6
  • Average mass510.537 Da
  • Monoisotopic mass510.179077 Da
  • ChemSpider ID1383557

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,4-Dimethyl-2-oxo-2H-chromen-7-yl N-[(benzyloxy)carbonyl]-L-tryptophanate [ACD/IUPAC Name]
3,4-Dimethyl-2-oxo-2H-chromen-7-yl-N-[(benzyloxy)carbonyl]-L-tryptophanat [German] [ACD/IUPAC Name]
L-Tryptophan, N-[(phenylmethoxy)carbonyl]-, 3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-tryptophanate de 3,4-diméthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
(3,4-dimethyl-2-oxochromen-7-yl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
(S)-3,4-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoate
957001-44-4 [RN]
AC1LXC33
MolPort-001-683-657
STOCK1N-38716
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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: 763.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.1±3.0 kJ/mol
    Flash Point: 415.3±32.9 °C
    Index of Refraction: 1.650
    Molar Refractivity: 141.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.30
    ACD/LogD (pH 5.5): 5.62
    ACD/BCF (pH 5.5): 10944.15
    ACD/KOC (pH 5.5): 27091.60
    ACD/LogD (pH 7.4): 5.62
    ACD/BCF (pH 7.4): 10938.89
    ACD/KOC (pH 7.4): 27078.57
    Polar Surface Area: 107 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 58.2±3.0 dyne/cm
    Molar Volume: 386.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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