ChemSpider 2D Image | 2-Hydroxy-5-{3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-3'-[(3,4,5-trihydroxybenzoyl)oxy]-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-2'-yl}phenyl 3,4,5-trihydroxybenzoate | C44H34O19

2-Hydroxy-5-{3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-3'-[(3,4,5-trihydroxybenzoyl)oxy]-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-2'-yl}phenyl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC44H34O19
  • Average mass866.729 Da
  • Monoisotopic mass866.169434 Da
  • ChemSpider ID35014807

More details:

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

2-Hydroxy-5-{3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-3'-[(3,4,5-trihydroxybenzoyl)oxy]-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-2'-yl}phenyl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
2-Hydroxy-5-{3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-3'-[(3,4,5-trihydroxybenzoyl)oxy]-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-2'-yl}phenyl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de 2-hydroxy-5-{3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphényl)-3'-[(3,4,5-trihydroxybenzoyl)oxy]-3,3',4,4'-tétrahydro-2H,2'H-4,6'-bichromén-2'-yl}phényle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2-hydroxy-5-[3,3',4,4'-tetrahydro-3,5,5',7,7'-pentahydroxy-2-(4-hydroxyphenyl)-3'-[(3,4,5-trihydroxybenzoyl)oxy][4,6'-bi-2H-1-benzopyran]-2'-yl]phenyl ester [ACD/Index Name]
5-{5,7-dihydroxy-6-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl 3,4,5-trihydroxybenzoate
Epiafzelechin-(4β->6)-epicatechin 3,3'-digallate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1129.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.2±3.0 kJ/mol
Flash Point: 343.0±27.8 °C
Index of Refraction: 1.896
Molar Refractivity: 210.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.38
ACD/KOC (pH 5.5): 2730.12
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 350.14
ACD/KOC (pH 7.4): 2151.15
Polar Surface Area: 334 Å2
Polarizability: 83.3±0.5 10-24cm3
Surface Tension: 158.6±5.0 dyne/cm
Molar Volume: 453.3±5.0 cm3

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