5-Hydroxy-2-(4-Methoxy-2-Oxo-2H-Pyran-6-Yl)-3-Methylphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H22O10
IUPAC Name 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
Molecular Mass 410.372 g·mol−1
Heat of Formation -1620.0 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 462.91 Å 3
Surface Area 372.72 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-pyran-2-one, 6-(2-(beta-d-glucopyranosyloxy)-4-hydroxy-6-methylphenyl)-4-methoxy-
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-methoxy-pyran-2-one
  • 6-[4-hydroxy-2-methyl-6-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-4-methoxy-2-pyranone
  • acon0_001054
  • acon1_000758
  • megxp0_001070
CAS Number(s)
  • 38412-46-3
  • 53270-24-9
InChIKey KFJNVVJUICKJEQ-LQDZTQBFSA-N
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