4-Oxo-4H-Pyran-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C11H14O8
IUPAC Name 3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypyran-4-one
Molecular Mass 274.224 g·mol−1
Heat of Formation -1240.6 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 292.79 Å 3
Surface Area 261.7 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
  • 3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypyran-4-one
  • 3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypyran-4-one
  • 3-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-pyranone
  • 4-pyrone-3-beta-d-glucopyranoside
  • 4h-pyran-4-one, 3-(beta-d-glucopyranosyloxy)-
  • erigeroside
CAS Number(s)
  • 59219-76-0
InChIKey QCBPBADGYXFZSW-ZHVGPZTNSA-N
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