2-(3,4-Dihydroxyphenyl)-5-Hydroxy-6-Methoxy-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C22H22O12
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 478.403 g·mol−1
Heat of Formation -1844.6 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 511.23 Å 3
Surface Area 435.64 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 3',4',5-trihydroxy-6-methoxy-7-(glucosyloxy)flavone
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-d-glucopyranosyloxy)-5-hydroxy-6-methoxy-
  • 5,3,4-trihydroxy-6-methoxyflavonoid
  • 6-methoxyluteolin 7-glucoside
  • 6-methoxyluteolin-7-glucoside
  • nepetin 7-glucoside
  • nepitrin
CAS Number(s)
  • 569-90-4
InChIKey DMXHXBGUNHLMQO-IWLDQSELSA-N
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