ChemSpider 2D Image | Methyl 3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate | C25H29N3O8

Methyl 3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate

  • Molecular FormulaC25H29N3O8
  • Average mass499.513 Da
  • Monoisotopic mass499.195465 Da
  • ChemSpider ID64973444

More details:






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

3-{2-Hydroxy-1-[2-(1H-imidazol-4-yl)éthyl]-6-méthyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-[4-méthoxy-3-(2-méthoxy-2-oxoéthoxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 1,4-dihydro-2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-β-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-[4-methoxy-3-(2-methoxy-2-oxoethoxy)phenyl]propanoat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 716.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.0±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 127.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 377.9±3.0 cm3

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