ChemSpider 2D Image | EPIGALLOCATECHIN-7-GLUCURONIDE | C21H22O13

EPIGALLOCATECHIN-7-GLUCURONIDE

  • Molecular FormulaC21H22O13
  • Average mass482.392 Da
  • Monoisotopic mass482.106049 Da
  • ChemSpider ID30777582

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2R,3R)-3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(2R,3R)-3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
569670-42-4 [RN]
Acide β-D-glucopyranosiduronique de (2R,3R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphényl)-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
EPIGALLOCATECHIN-7-GLUCURONIDE
β-D-Glucopyranosiduronic acid, (2R,3R)-3,4-dihydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-7-yl [ACD/Index Name]
(-)-Epigallocatechin 7-glucuronide
(-)-Epigallocatechin 7-O-glucuronide
(2S,3S,4S,5R,6S)-6-{[(2R,3R)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Epigallocatechin 7-glucuronide

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

629O3H07D9 [DBID]
UNII:629O3H07D9 [DBID]
UNII-629O3H07D9 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 917.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.8±3.0 kJ/mol
Flash Point: 320.6±27.8 °C
Index of Refraction: 1.769
Molar Refractivity: 109.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.37
ACD/LogD (pH 5.5): -4.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 121.7±3.0 dyne/cm
Molar Volume: 263.0±3.0 cm3

Click to predict properties on the Chemicalize site


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