6,7-Dihydroxycoumarin-7-Glucoside

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Properties Simple | Detailed

Formula C15H17O9+
IUPAC Name 6-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
Molecular Mass 341.290 g·mol−1
Heat of Formation -1397.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 365.95 Å 3
Surface Area 320.32 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1-benzopyran-2-one, 7-(beta-d-glucopyranosyloxy)-6-hydroxy-
  • 6-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one
  • 6-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • 6-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
  • 6-hydroxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin
  • 6-hydroxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone
  • 7-(beta-d-glucopyranosyloxy)-6-hydroxy-2h-1-benzopyran-2-one
  • cichoriin
  • cichorioside
CAS Number(s)
  • 531-58-8
InChIKey WNBCMONIPIJTSB-TVKJYDDYSA-N
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