ChemSpider 2D Image | 4-({N-[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl}amino)butanoic acid | C30H32N2O7

4-({N-[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl}amino)butanoic acid

  • Molecular FormulaC30H32N2O7
  • Average mass532.584 Da
  • Monoisotopic mass532.220947 Da
  • ChemSpider ID17471423

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-({N-[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl}amino)butanoic acid [ACD/IUPAC Name]
4-({N-[3-(2,3,5-Trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-phenylalanyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-({N-[3-(2,3,5-triméthyl-7-oxo-7H-furo[3,2-g]chromén-6-yl)propanoyl]-D-phénylalanyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(2R)-1-oxo-2-[[1-oxo-3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propyl]amino]-3-phenylpropyl]amino]- [ACD/Index Name]
(R)-4-(3-phenyl-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanamido)butanoic acid
4-[[(2R)-3-phenyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoyl]amino]butanoic acid
956947-37-8 [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: 870.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.6±3.0 kJ/mol
    Flash Point: 480.4±34.3 °C
    Index of Refraction: 1.602
    Molar Refractivity: 143.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.43
    ACD/LogD (pH 5.5): 2.86
    ACD/BCF (pH 5.5): 51.06
    ACD/KOC (pH 5.5): 308.90
    ACD/LogD (pH 7.4): 1.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.85
    Polar Surface Area: 135 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 53.8±3.0 dyne/cm
    Molar Volume: 419.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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