ChemSpider 2D Image | Methyl 3,5-dimethoxy-2-{[5-methoxy-6-(2-methoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl}benzoate | C21H24O9

Methyl 3,5-dimethoxy-2-{[5-methoxy-6-(2-methoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl}benzoate

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID29814253

More details:

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

3,5-Diméthoxy-2-{[5-méthoxy-6-(2-méthoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dimethoxy-2-[[5-methoxy-6-(2-methoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl 3,5-dimethoxy-2-{[5-methoxy-6-(2-methoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl}benzoate [ACD/IUPAC Name]
Methyl-3,5-dimethoxy-2-{[5-methoxy-6-(2-methoxypropyl)-4-oxo-4H-pyran-3-yl]carbonyl}benzoat [German] [ACD/IUPAC Name]
Compound NP-015657
Methyl 3,5-dimethoxy-2-[5-methoxy-6-(2-methoxypropyl)-4-oxopyran-3-carbonyl]benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 272.0±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.71
ACD/KOC (pH 5.5): 105.53
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 105.53
Polar Surface Area: 107 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

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