ChemSpider 2D Image | Methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}-3-(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)propanoate | C28H28N2O8

Methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}-3-(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)propanoate

  • Molecular FormulaC28H28N2O8
  • Average mass520.531 Da
  • Monoisotopic mass520.184570 Da
  • ChemSpider ID35145661

More details:

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

3-{1-[2-(3,4-Dihydroxyphényl)éthyl]-4-hydroxy-6-méthyl-2-oxo-1,2-dihydro-3-pyridinyl}-3-(7-méthoxy-2-oxo-1,2-dihydro-3-quinoléinyl)propanoate de méthyle [French] [ACD/IUPAC Name]
3-Quinolinepropanoic acid, β-[1-[2-(3,4-dihydroxyphenyl)ethyl]-1,2-dihydro-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]-1,2-dihydro-7-methoxy-2-oxo-, methyl ester [ACD/Index Name]
Methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}-3-(7-methoxy-2-oxo-1,2-dihydro-3-quinolinyl)propanoate [ACD/IUPAC Name]
Methyl-3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl}-3-(7-methoxy-2-oxo-1,2-dihydro-3-chinolinyl)propanoat [German] [ACD/IUPAC Name]
methyl 3-(1-(3,4-dihydroxyphenethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)-3-(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)propanoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.5±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 22.20
ACD/KOC (pH 5.5): 238.19
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.77
Polar Surface Area: 146 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 375.4±3.0 cm3

Click to predict properties on the Chemicalize site


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