ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanoate | C36H40N2O8

Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanoate

  • Molecular FormulaC36H40N2O8
  • Average mass628.711 Da
  • Monoisotopic mass628.278442 Da
  • ChemSpider ID35145823

More details:

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

3-(3-Hydroxy-6-{[4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-4-oxo-4H-pyran-2-yl)-3-{4-[2-(4-méthoxyphényl)éthoxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-6-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-{[4-(4-methoxyphenyl)-1-piperazinyl]methyl}-4-oxo-4H-pyran-2-yl)-3-{4-[2-(4-methoxyphenyl)ethoxy]phenyl}propanoat [German] [ACD/IUPAC Name]
methyl 3-(3-hydroxy-6-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-4-oxo-4H-pyran-2-yl)-3-(4-(4-methoxyphenethoxy)phenyl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 810.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 444.2±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 71.27
ACD/KOC (pH 5.5): 276.53
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1053.83
ACD/KOC (pH 7.4): 4088.79
Polar Surface Area: 107 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

Click to predict properties on the Chemicalize site


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