ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromene-3,5-diyl bis(3,4,5-trihydroxybenzoate) | C29H22O14

2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromene-3,5-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC29H22O14
  • Average mass594.477 Da
  • Monoisotopic mass594.100952 Da
  • ChemSpider ID3525015

More details:

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

2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromen-3,5-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-chromene-3,5-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-2H-1-benzopyran-3,5-diyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de 2-(3,4-dihydroxyphényl)-7-hydroxy-3,4-dihydro-2H-chromène-3,5-diyle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5-yl 3,4,5-trihydroxybenzoate
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
3,5-Digalloylepicatechin
37484-74-5 [RN]
Epicatechin 3,5-digallate
Epicatechin 3,5-di-O-gallate

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

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1078.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.6±3.0 kJ/mol
Flash Point: 357.7±27.8 °C
Index of Refraction: 1.855
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.11
ACD/KOC (pH 5.5): 1444.56
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 84.76
ACD/KOC (pH 7.4): 668.69
Polar Surface Area: 244 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 147.8±5.0 dyne/cm
Molar Volume: 314.5±5.0 cm3

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