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

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Properties Simple | Detailed

Formula C23H24O11
IUPAC Name 5-hydroxy-3,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 476.430 g·mol−1
Heat of Formation -1671.4 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 517.27 Å 3
Surface Area 448.95 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4',5-dihydroxy-3,7-dimethoxyflavone-4'-o-glucopyranoside
  • 4h-1-benzopyran-4-one, 2-(4-(beta-d-glucopyranosyloxy)phenyl)-5-hydroxy-3,7-dimethoxy-
  • 5-hydroxy-3,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5-hydroxy-3,7-dimethoxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone
  • 5-hydroxy-3,7-dimethoxy-2-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
CAS Number(s)
  • 150853-97-7
InChIKey AMYHLRMWVVIQBZ-BPAZWDACSA-N
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