(+)-Gallocatechin

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Properties Simple | Detailed

Formula C15H14O7
IUPAC Name (2r,3s)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol
Molecular Mass 306.267 g·mol−1
Heat of Formation -1082.9 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 328.12 Å 3
Surface Area 297.39 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-gallocatechin
  • (+-)-gallocatechol
  • (2r,3s)-2-(3,4,5-trihydroxy-phenyl)-1-benzopyran-3,5,7-triol
  • (2r,3s)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol
  • 2h-1-benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2r,3s)-rel-
  • 2h-1-benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2r-trans-)
  • 2h-1-benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, trans-(+-)-
  • acon1_000994
  • dl-gallocatechin
  • dl-gallocatechol
  • gallocatechin
  • gallocatechol
  • gallocatechol, (+-)-
  • megxp0_000240
CAS Number(s)
  • 1617-55-6
  • 970-73-0
InChIKey XMOCLSLCDHWDHP-SWLSCSKDSA-N
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