ChemSpider 2D Image | (2S,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)(2,3-~3~H_2_)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | C22H16T2O11

(2S,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)(2,3-3H2)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

  • Molecular FormulaC22H16T2O11
  • Average mass462.388 Da
  • Monoisotopic mass462.101349 Da
  • ChemSpider ID57268387

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)(2,3-3H2)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate [ACD/IUPAC Name]
(2S,3S)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)(2,3-3H2)-3,4-dihydro-2H-chromen-3-yl-3,4,5-trihydroxybenzoat [German] [ACD/IUPAC Name]
3,4,5-Trihydroxybenzoate de (2S,3S)-5,7-dihydroxy-2-(3,4,5-trihydroxyphényl)(2,3-3H2)-3,4-dihydro-2H-chromén-3-yle [French] [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, (2S,3S)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl-2,3-t2 ester [ACD/Index Name]
(-)-EPIGALLOCATECHIN GALLATE[3H(G)]

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

Density:
Boiling Point: 909.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 320.0±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.47
ACD/KOC (pH 5.5): 235.14
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 8.96
ACD/KOC (pH 7.4): 145.65
Polar Surface Area: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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