4-[8-(β-D-Glucopyranosyloxy)-5,7-Dihydroxy-4-Oxo-4H-Chromen-2-Yl]Phenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H30O16
IUPAC Name 5,7-dihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
Molecular Mass 610.517 g·mol−1
Heat of Formation -2624.4 ± 16.7 kJ·mol−1
Dipole Moment 5.65 ± 1.08 D
Volume 659.8 Å 3
Surface Area 521.41 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 8-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-, mono-beta-d-glucopyranoside
  • 5,7-dihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
  • 5,7-dihydroxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyphenyl]chromone
  • 5,7-dihydroxy-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-[4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-chromenone
  • glucosylvitexin
CAS Number(s)
  • 76135-82-5
InChIKey FIKSWIOVRVHXGQ-TUTGZWPLSA-N
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