ChemSpider 2D Image | Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate | C20H22O9

Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID29772183

More details:






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

3-(4-Acétoxy-3,5-diméthoxyphényl)-3-(3-hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-[4-(acetyloxy)-3,5-dimethoxyphenyl]-3-hydroxy-6-methyl-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)propanoat [German] [ACD/IUPAC Name]
1574495-62-7 [RN]
MCULE-4764010105
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
MolPort-028-856-018

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 189.4±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 164.37
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.61
ACD/KOC (pH 7.4): 124.01
Polar Surface Area: 118 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 309.2±3.0 cm3

Click to predict properties on the Chemicalize site






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