ChemSpider 2D Image | 4',4''-DIMETHYLEPIGALLOCATECHIN GALLATE | C24H22O11

4',4''-DIMETHYLEPIGALLOCATECHIN GALLATE

  • Molecular FormulaC24H22O11
  • Average mass486.425 Da
  • Monoisotopic mass486.116211 Da
  • ChemSpider ID28477210

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,5-dihydroxy-4-methoxybenzoate [ACD/IUPAC Name]
(2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl-3,5-dihydroxy-4-methoxybenzoat [German] [ACD/IUPAC Name]
298700-58-0 [RN]
3,5-Dihydroxy-4-méthoxybenzoate de (2R,3R)-2-(3,5-dihydroxy-4-méthoxyphényl)-5,7-dihydroxy-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
4',4''-DIMETHYLEPIGALLOCATECHIN GALLATE
Benzoic acid, 3,5-dihydroxy-4-methoxy-, (2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester [ACD/Index Name]
(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,5-dihydroxy-4-methoxybenzoate
[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxychroman-3-yl] 3,5-dihydroxy-4-methoxybenzoate
[(2R,3R)-2-(3,5-dihydroxy-4-methoxy-phenyl)-5,7-dihydroxy-chroman-3-yl] 3,5-dihydroxy-4-methoxy-benzoate
3,5-dihydroxy-4-methoxybenzoic acid [(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-chromanyl] ester
More...

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

SQK5F3Y21Q [DBID]
UNII:SQK5F3Y21Q [DBID]
UNII-SQK5F3Y21Q [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 847.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 293.1±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.67
ACD/KOC (pH 5.5): 201.93
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.57
ACD/KOC (pH 7.4): 182.98
Polar Surface Area: 175 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 104.8±5.0 dyne/cm
Molar Volume: 290.9±5.0 cm3

Click to predict properties on the Chemicalize site


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