ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate | C22H18O10

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

  • Molecular FormulaC22H18O10
  • Average mass442.372 Da
  • Monoisotopic mass442.089996 Da
  • ChemSpider ID35014492

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2-(3,4-dihydroxyphényl)-3,5-dihydroxy-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl ester [ACD/Index Name]
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl 3,4,5-trihydroxybenzoate
7-Galloylcatechin
89702-01-2 [RN]
Arachidyl Palmitate
Catechin 7-gallate
Catechin 7-O-gallate
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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: 1.7±0.1 g/cm3
Boiling Point: 849.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 300.8±27.8 °C
Index of Refraction: 1.769
Molar Refractivity: 109.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.14
ACD/KOC (pH 5.5): 254.09
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 136.63
Polar Surface Area: 177 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 97.9±3.0 dyne/cm
Molar Volume: 262.5±3.0 cm3

Click to predict properties on the Chemicalize site


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