2-(β-D-Glucopyranosyloxy)-8-Hydroxy-1-Methoxy-3-Methyl-9,10-Anthraquinone

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Properties Simple | Detailed

Formula C22H22O10
IUPAC Name 8-hydroxy-1-methoxy-3-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
Molecular Mass 446.404 g·mol−1
Heat of Formation -1535.8 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 483.17 Å 3
Surface Area 392.8 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 8-hydroxy-1-methoxy-3-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-anthracene-9,10-dione
  • 8-hydroxy-1-methoxy-3-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-anthracene-9,10-dione
  • 8-hydroxy-1-methoxy-3-methyl-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-9,10-anthraquinone
  • 8-hydroxy-1-methoxy-3-methyl-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]anthracene-9,10-dione
  • obtusifolin 2-glucoside
CAS Number(s)
  • 120163-18-0
InChIKey JMDQOFZFOJHOMU-UJPYTVAASA-N
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