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

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

  • Molecular FormulaC20H24O9
  • Average mass408.399 Da
  • Monoisotopic mass408.142029 Da
  • ChemSpider ID27320581

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

3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(2,4,5-triméthoxyphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-4-oxo-β-(2,4,5-trimethoxyphenyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1324081-62-0 [RN]
AGN-PC-09RH5B
AKOS005751390
C20H24O9
ethyl 3-(3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)-3-(2,4,5-trimethoxyphenyl)propanoate
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(2,4,5-trimethoxyphenyl)propanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 224.7±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.12
ACD/KOC (pH 5.5): 182.19
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 138.22
Polar Surface Area: 121 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

Click to predict properties on the Chemicalize site






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