1-Hydroxy-7-Methoxy-9-Oxo-9H-Xanthen-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H20O10
IUPAC Name 1-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
Molecular Mass 420.367 g·mol−1
Heat of Formation -1555.3 ± 16.7 kJ·mol−1
Dipole Moment 7.37 ± 1.08 D
Volume 442.78 Å 3
Surface Area 392.21 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-xanthen-9-one
  • 1-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
  • 1-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-xanthen-9-one
  • 1-hydroxy-7-methoxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-xanthone
  • 1-hydroxy-7-methoxy-3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9-xanthenone
  • 9h-xanthen-9-one, 3-(beta-d-glucopyranosyloxy)-1-hydroxy-7-methoxy-
  • isogentisin 3-o-glucoside
CAS Number(s)
  • 68325-59-7
InChIKey DTOIUXRIJVTQEO-LWUBGYQZSA-N
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