ChemSpider 2D Image | Methyl 4-hydroxy-5-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3-methoxy-3-oxopropyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylate | C19H21NO8

Methyl 4-hydroxy-5-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3-methoxy-3-oxopropyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC19H21NO8
  • Average mass391.372 Da
  • Monoisotopic mass391.126709 Da
  • ChemSpider ID35146175

More details:

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

3-Pyridinepropanoic acid, 1,2-dihydro-4-hydroxy-β-[3-(hydroxymethyl)-4-methoxyphenyl]-5-(methoxycarbonyl)-2-oxo-, methyl ester [ACD/Index Name]
4-Hydroxy-5-{1-[3-(hydroxyméthyl)-4-méthoxyphényl]-3-méthoxy-3-oxopropyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-hydroxy-5-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3-methoxy-3-oxopropyl}-6-oxo-1,6-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
Methyl-4-hydroxy-5-{1-[3-(hydroxymethyl)-4-methoxyphenyl]-3-methoxy-3-oxopropyl}-6-oxo-1,6-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
methyl 4-hydroxy-5-(1-(3-(hydroxymethyl)-4-methoxyphenyl)-3-methoxy-3-oxopropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.9±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

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