5-Hydroxy-2,6,8-Trimethyl-4-Oxo-4H-Chromen-7-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C18H23O9+
IUPAC Name 5-hydroxy-2,6,8-trimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
Molecular Mass 383.370 g·mol−1
Heat of Formation -1540.1 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 429.82 Å 3
Surface Area 352.2 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-2,6,8-trimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2,6,8-trimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
  • 5-hydroxy-2,6,8-trimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
  • 5-hydroxy-2,6,8-trimethyl-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
  • 5-hydroxy-2,6,8-trimethyl-7-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
InChIKey SYRSLDAOMRWYGP-MLTZOPNTSA-N
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