ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate | C19H20O9

Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC19H20O9
  • Average mass392.357 Da
  • Monoisotopic mass392.110718 Da
  • ChemSpider ID32079187

More details:

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

1,3-Benzodioxole-5-propanoic acid, β-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-7-methoxy-, ethyl ester [ACD/Index Name]
3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(7-méthoxy-1,3-benzodioxol-5-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(7-methoxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 622.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 223.2±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.66
ACD/KOC (pH 5.5): 163.08
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 6.71
ACD/KOC (pH 7.4): 126.32
Polar Surface Area: 121 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 273.9±3.0 cm3

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