ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoate | C23H27NO9

Methyl 3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoate

  • Molecular FormulaC23H27NO9
  • Average mass461.462 Da
  • Monoisotopic mass461.168579 Da
  • ChemSpider ID34496923

More details:






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

3-[3-Hydroxy-6-(4-morpholinylméthyl)-4-oxo-4H-pyran-2-yl]-3-[2-(2-méthoxy-2-oxoéthoxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-[2-(2-methoxy-2-oxoethoxy)phenyl]-6-(4-morpholinylmethyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(4-morpholinylmethyl)-4-oxo-4H-pyran-2-yl]-3-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoat [German] [ACD/IUPAC Name]
1676096-42-6 [RN]
methyl 3-(3-hydroxy-6-(morpholinomethyl)-4-oxo-4H-pyran-2-yl)-3-(2-(2-methoxy-2-oxoethoxy)phenyl)propanoate
methyl 3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 114.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.20
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 44.50
Polar Surface Area: 121 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

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