ChemSpider 2D Image | 2,2',2''-Tris(3,4-dihydroxyphenyl)-3'',5,5',5'',7,7',7''-heptahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate) | C59H46O26

2,2',2''-Tris(3,4-dihydroxyphenyl)-3'',5,5',5'',7,7',7''-heptahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC59H46O26
  • Average mass1170.981 Da
  • Monoisotopic mass1170.227783 Da
  • ChemSpider ID35014452

More details:

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

2,2',2''-Tris(3,4-dihydroxyphenyl)-3'',5,5',5'',7,7',7''-heptahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromen-3,3'-diyl-bis(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
2,2',2''-Tris(3,4-dihydroxyphenyl)-3'',5,5',5'',7,7',7''-heptahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-3'',5,5',5'',7,7',7''-heptahydroxy[4,6':4',8''-ter-2H-1-benzopyran]-3,3'-diyl ester [ACD/Index Name]
Bis(3,4,5-trihydroxybenzoate) de 2,2',2''-tris(3,4-dihydroxyphényl)-3'',5,5',5'',7,7',7''-heptahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromène-3,3'-diyle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl
3-O-Galloylepicatechin-(4β->6)-3-O-galloylepicatechin-(4β->8)-catechin
Epicatechin 3-O-gallate-(4b->6)-epicatechin-3-O-gallate-(4b->8)-catechin
Epicatechin 3-O-gallate-(4β->6)-epicatechin 3-O-gallate-(4β->8)-catechin

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.952
Molar Refractivity: 282.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 19
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1376.59
ACD/KOC (pH 5.5): 6137.57
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1306.08
ACD/KOC (pH 7.4): 5823.19
Polar Surface Area: 465 Å2
Polarizability: 111.9±0.5 10-24cm3
Surface Tension: 184.0±5.0 dyne/cm
Molar Volume: 583.9±5.0 cm3

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