6-O-{[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl}-β-D-Glucopyranose

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Formula C14H21NO8
IUPAC Name (2r,3r,4s,5s,6r)-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxymethyl]tetrahydropyran-2,3,4,5-tetrol
Molecular Mass 331.318 g·mol−1
Heat of Formation -1362.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 379.51 Å 3
Surface Area 330.63 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-6-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methoxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxymethyl]tetrahydropyran-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
  • (2r,3r,4s,5s,6r)-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol
  • beta-d-glucopyranose, monoglycoside with 5-hydroxy-6-methyl-3,4-pyridinedimethanol
  • pyridoxine-alpha-glucoside
  • pyridoxol, beta-d-glucopyranoside
InChIKey ZWEVNIGTHQCGQT-RGCYKPLRSA-N
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