6-(Carboxymethyl)-1-(β-D-Glucopyranosyl)-2(1H)-Pyridinone

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Properties Simple | Detailed

Formula C13H17NO8
IUPAC Name 2-[6-oxo-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-pyridyl]acetic acid
Molecular Mass 315.276 g·mol−1
Heat of Formation -1425.9 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 330.82 Å 3
Surface Area 277.92 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-beta-d-glucopyranosyl-1,6-dihydro-6-oxo-2-pyridineacetic acid
  • 1-beta-d-glucopyranosylpyrid-2(1h)-one-6-acetic acid
  • 1-glucopyranosylpyrid-2(1h)-one-6-acetic acid
  • 1-gpoac
  • 2-[6-keto-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-2-pyridyl]acetic acid
  • 2-[6-oxo-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-2-pyridyl]acetic acid
  • 2-[6-oxo-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridin-2-yl]ethanoic acid
  • 2-[6-oxo-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-pyridyl]acetic acid
  • 2-pyridineacetic acid, 1-beta-d-glucopyranosyl-1,6-dihydro-6-oxo-
  • pleurodeles blue
CAS Number(s)
  • 117803-24-4
InChIKey ZDYPNWSRIUIALY-WPTBKURFSA-N
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