ChemSpider 2D Image | Methyl 3-[2-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoate | C23H31NO8

Methyl 3-[2-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoate

  • Molecular FormulaC23H31NO8
  • Average mass449.494 Da
  • Monoisotopic mass449.204956 Da
  • ChemSpider ID80540810

More details:

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

3-[2-Hydroxy-1-(3-méthoxypropyl)-6-méthyl-4-oxo-1,4-dihydro-3-pyridinyl]-3-(2,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 1,4-dihydro-2-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-β-(2,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[2-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[2-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl]-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 36.50
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 372.6±3.0 cm3

Click to predict properties on the Chemicalize site


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