ChemSpider 2D Image | Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate | C20H24O9

Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate

  • Molecular FormulaC20H24O9
  • Average mass408.399 Da
  • Monoisotopic mass408.142029 Da
  • ChemSpider ID29771195

More details:






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

3-[3-Hydroxy-6-(méthoxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(methoxymethyl)-4-oxo-β-(3,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574485-07-6 [RN]
C20H24O9
methyl 3-(3-hydroxy-6-(methoxymethyl)-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(3,4,5-trimethoxyphenyl)propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 570.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 196.9±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 101.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 141.46
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 4.81
ACD/KOC (pH 7.4): 95.62
Polar Surface Area: 110 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site






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