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Search term: AMKYIRIOEMTPFI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[3-(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl-beta-alanine | C30H32N2O7

N-[3-(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl-β-alanine

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID17471105

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N-[3-(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl-β-alanin [German] [ACD/IUPAC Name]
N-[3-(2,3,5,9-Tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl-β-alanine [ACD/IUPAC Name]
N-[3-(2,3,5,9-Tétraméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]-D-phénylalanyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[1-oxo-3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]-D-phenylalanyl- [ACD/Index Name]
(R)-3-(3-phenyl-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanamido)propanoic acid
3-[[(2R)-3-phenyl-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]propanoic acid
956775-67-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 873.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 133.1±3.0 kJ/mol
    Flash Point: 482.3±34.3 °C
    Index of Refraction: 1.603
    Molar Refractivity: 144.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.09
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 27.09
    ACD/KOC (pH 5.5): 150.30
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.60
    Polar Surface Area: 135 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 419.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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