[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl 4-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H31NO13
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 493.459 g·mol−1
Heat of Formation -2303.1 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 547.68 Å 3
Surface Area 461.8 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methoxy]-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxy]-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-pyridin-3-yl]methoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methoxy]-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 5'-o-(cellobiosyl)pyridoxine
  • 5-cbpd
CAS Number(s)
  • 116169-14-3
InChIKey JBPUGXTYHUSDKT-ORYXFIOKSA-N
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