2,3-Dihydroxy-5-(3,5,7-Trihydroxy-4-Oxo-4H-Chromen-2-Yl)Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H18O13
IUPAC Name 2-[4-hydroxy-5-oxo-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohexa-1,3-dien-1-yl]cyclopropa[1,2]cyclopenta[4,5-d]pyran-2,5a,6a-triide-3,4,5,6-tetrone
Molecular Mass 478.360 g·mol−1
Heat of Formation -2078.1 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 499.54 Å 3
Surface Area 411.98 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-3,5,7-trihydroxy-chromen-4-one
  • 2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one
  • 2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3,5,7-trihydroxy-chromen-4-one
  • 2-[3,4-dihydroxy-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-3,5,7-trihydroxy-chromone
  • 2-[3,4-dihydroxy-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-3,5,7-trihydroxy-4-chromenone
  • 3'-(glucopyranosyloxy)-3,4',5,5',7-pentahydroxyflavone
  • 4h-1-benzopyran-4-one, 2-(3-(beta-d-glucopyranosyloxy)-4,5-dihydroxyphenyl)-3,5,7-trihydroxy-
  • flavone, 3'-(glucopyranosyloxy)-3,4',5,5',7-pentahydroxy-
  • myricetin 3'-glucoside
CAS Number(s)
  • 520-14-9
InChIKey ZJYAVUPWMNHHEU-GFOOFYSOSA-N
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