ChemSpider 2D Image | Methyl 3-{6-[(4-formyl-1-piperazinyl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate | C26H32N2O8

Methyl 3-{6-[(4-formyl-1-piperazinyl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate

  • Molecular FormulaC26H32N2O8
  • Average mass500.541 Da
  • Monoisotopic mass500.215851 Da
  • ChemSpider ID58174916

More details:

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

3-{6-[(4-Formyl-1-pipérazinyl)méthyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{3-méthoxy-4-[(2-méthyl-2-propén-1-yl)oxy]phényl}propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 6-[(4-formyl-1-piperazinyl)methyl]-3-hydroxy-β-[3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-{6-[(4-formyl-1-piperazinyl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]phenyl}propanoate [ACD/IUPAC Name]
Methyl-3-{6-[(4-formyl-1-piperazinyl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{3-methoxy-4-[(2-methyl-2-propen-1-yl)oxy]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: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 24.09
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 7.58
ACD/KOC (pH 7.4): 125.94
Polar Surface Area: 115 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 384.8±3.0 cm3

Click to predict properties on the Chemicalize site


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