ChemSpider 2D Image | Methyl 3-{2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-6-methyl-4-oxo-1,4-dihydro-3-pyridinyl}-3-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoate | C27H31N5O6

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

  • Molecular FormulaC27H31N5O6
  • Average mass521.565 Da
  • Monoisotopic mass521.227417 Da
  • ChemSpider ID64973397

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-{3-méthoxy-4-[(1-méthyl-1H-imidazol-2-yl)méthoxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 1,4-dihydro-2-hydroxy-1-[2-(1H-imidazol-4-yl)ethyl]-β-[3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]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-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]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-{3-methoxy-4-[(1-methyl-1H-imidazol-2-yl)methoxy]phenyl}propanoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 798.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 436.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 396.1±7.0 cm3

Click to predict properties on the Chemicalize site


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