ChemSpider 2D Image | 2,2',2''-Tris(3,4-dihydroxyphenyl)-5,5',5'',7,7',7''-hexahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3',3''-triyl tris(3,4,5-trihydroxybenzoate) | C66H50O30

2,2',2''-Tris(3,4-dihydroxyphenyl)-5,5',5'',7,7',7''-hexahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3',3''-triyl tris(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC66H50O30
  • Average mass1323.085 Da
  • Monoisotopic mass1322.238647 Da
  • ChemSpider ID35014451

More details:

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

2,2',2''-Tris(3,4-dihydroxyphenyl)-5,5',5'',7,7',7''-hexahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromen-3,3',3''-triyl-tris(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
2,2',2''-Tris(3,4-dihydroxyphenyl)-5,5',5'',7,7',7''-hexahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromene-3,3',3''-triyl tris(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-5,5',5'',7,7',7''-hexahydroxy[4,6':4',8''-ter-2H-1-benzopyran]-3,3',3''-triyl ester [ACD/Index Name]
Tris(3,4,5-trihydroxybenzoate) de 2,2',2''-tris(3,4-dihydroxyphényl)-5,5',5'',7,7',7''-hexahydroxy-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,6':4',8''-terchromène-3,3',3''-triyle [French] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-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-d
3-O-Galloylepicatechin-(4β->6)-3-O-galloylepicatechin-(4β->8)-epicatechin-3-O-gallate
Epicatechin 3-O-gallate-(4β->6)-epicatechin 3-O-gallate-(4β->8)-epicatechin 3-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: 1.957
Molar Refractivity: 316.6±0.4 cm3
#H bond acceptors: 30
#H bond donors: 21
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 4
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22255.09
ACD/KOC (pH 5.5): 44990.12
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21114.10
ACD/KOC (pH 7.4): 42683.59
Polar Surface Area: 531 Å2
Polarizability: 125.5±0.5 10-24cm3
Surface Tension: 189.3±5.0 dyne/cm
Molar Volume: 652.0±5.0 cm3

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