ChemSpider 2D Image | 6-{[(2R)-2-{[(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}-2-phenylacetyl]amino}hexanoic acid | C28H32N2O8

6-{[(2R)-2-{[(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}-2-phenylacetyl]amino}hexanoic acid

  • Molecular FormulaC28H32N2O8
  • Average mass524.562 Da
  • Monoisotopic mass524.215881 Da
  • ChemSpider ID17469144

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

6-{[(2R)-2-{[(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}-2-phenylacetyl]amino}hexanoic acid [ACD/IUPAC Name]
6-{[(2R)-2-{[(7,8-Dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}-2-phenylacetyl]amino}hexansäure [German] [ACD/IUPAC Name]
Acide 6-{[(2R)-2-{[2-(7,8-diméthoxy-4-méthyl-2-oxo-2H-chromén-3-yl)acétyl]amino}-2-phénylacétyl]amino}hexanoïque [French] [ACD/IUPAC Name]
Hexanoic acid, 6-[[(2R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]amino]-2-phenylacetyl]amino]- [ACD/Index Name]
(R)-6-(2-(2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)acetamido)-2-phenylacetamido)hexanoic acid
6-[[(2R)-2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetyl]amino]hexanoic acid
956960-71-7 [RN]
MCULE-2442844555
MolPort-002-530-867
STOCK1N-59571

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 846.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 128.9±3.0 kJ/mol
    Flash Point: 465.8±34.3 °C
    Index of Refraction: 1.571
    Molar Refractivity: 137.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 11.42
    ACD/KOC (pH 5.5): 115.35
    ACD/LogD (pH 7.4): 0.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.84
    Polar Surface Area: 140 Å2
    Polarizability: 54.5±0.5 10-24cm3
    Surface Tension: 50.7±3.0 dyne/cm
    Molar Volume: 418.7±3.0 cm3

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