(-)-Epicatechin-3-O-Gallate

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Properties Simple | Detailed

Formula C22H18O10
IUPAC Name [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 442.372 g·mol−1
Heat of Formation -1494.7 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 474.64 Å 3
Surface Area 373.76 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-cis-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1(2h)-benzopyran-3,5,7-triol 3-gallate
  • (−)-cis-3,3′,4′,5,7-pentahydroxyflavane 3-gallate
  • (−)-epicatechin gallate
  • (-)-epicatechin gallate
  • (-)-epicatechin-3-gallate
  • 3,4,5-trihydroxybenzoic acid [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-chromanyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] ester
  • [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
  • [(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl] 3,4,5-trihydroxybenzoate
  • benzoic acid, 3,4,5-trihydroxy-, (2r,3r)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2h-1-benzopyran-3-yl ester
  • benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7- dihydroxy-2h-1-benzopyran-3-yl ester, (-)-cis-
  • benzoic acid, 3,4,5-trihydroxy-, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2h-1-benzopyran-3-yl ester, (2r-cis)-
  • epicatechol, 3-gallate, (-)- (8ci)
  • epicatechol, gallate (6ci)
  • l-epicatechin gallate
  • megxp0_000810
  • sdccgmls-0066549.p001
CAS Number(s)
  • 1257-08-5
InChIKey LSHVYAFMTMFKBA-TZIWHRDSSA-N
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