ChemSpider 2D Image | (3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl 3,4,5-trihydroxybenzoate | C22H18O11

(3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC22H18O11
  • Average mass458.372 Da
  • Monoisotopic mass458.084900 Da
  • ChemSpider ID65791442
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (3R)-2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl ester [ACD/Index Name]
Epicatechin gallate [Wiki]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 914.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 321.9±27.8 °C
Index of Refraction: 1.856
Molar Refractivity: 108.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.41
ACD/KOC (pH 5.5): 159.36
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.82
ACD/KOC (pH 7.4): 91.41
Polar Surface Area: 197 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 149.2±5.0 dyne/cm
Molar Volume: 241.5±5.0 cm3

Click to predict properties on the Chemicalize site






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