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-4,8':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-4,8':4',8''-terchromene-3',3''-diyl bis(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC59H46O26
  • Average mass1170.981 Da
  • Monoisotopic mass1170.227783 Da
  • ChemSpider ID35014555

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-4,8':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-4,8':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[4,8':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-4,8':4',8''-terchromène-3',3''-diyle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl
ent-Epicatechin-(4α->8)-ent-epicatechin-(4α->8)-ent-epicatechin 3',3''-digallate
Epicatechin-(4β->;8)-3-O-galloylepicatechin-(4β->8)-epicatechin-3-O-gallate
Procyanidin C1 3',3''-di-O-gallate

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: 4.43
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 811.68
ACD/KOC (pH 5.5): 4205.13
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 770.28
ACD/KOC (pH 7.4): 3990.68
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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