9H-Xanthen-9-One, 4-β-D-Glucopyranosyl-1,3,6,7-Tetrahydroxy-

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Properties Simple | Detailed

Formula C19H18O11
IUPAC Name 1,3,6,7-tetrahydroxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
Molecular Mass 422.340 g·mol−1
Heat of Formation -1819.2 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 439.38 Å 3
Surface Area 364.4 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,7-tetrahydroxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-9-xanthenone
  • 1,3,6,7-tetrahydroxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
  • 1,3,6,7-tetrahydroxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
  • 1,3,6,7-tetrahydroxy-4-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]xanthone
CAS Number(s)
  • 24699-16-9
InChIKey CDYBOKJASDEORM-HBVDJMOISA-N
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