5-Hydroxy-8-Methoxy-2-Methyl-4-Oxo-4H-Benzo[G]Chromen-6-Yl β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23O10+
IUPAC Name 5-hydroxy-8-methoxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
Molecular Mass 435.401 g·mol−1
Heat of Formation -1544.9 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 474.52 Å 3
Surface Area 402.29 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-naphtho(2,3-b)pyran-4-one, 6-(beta-d-glucopyranosyloxy)-5-hydroxy-8-methoxy-2-methyl-
  • 5-hydroxy-8-methoxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-8-methoxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzo[g]chromen-4-one
  • 5-hydroxy-8-methoxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-8-methoxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzo[g]chromen-4-one
  • 5-hydroxy-8-methoxy-2-methyl-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-benzo[g]chromenone
  • 6-(beta-d-glucopyranosyloxy)-5-hydroxy-8-methoxy-2-methyl-4h-naphtho(2,3-b)pyran-4-one
CAS Number(s)
  • 132922-80-6
InChIKey CDMUGCVTTUOCFT-IAAKTDFRSA-N
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