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

Molecule SVG Image

Properties Simple | Detailed

Formula C26H41NO18
IUPAC Name (2r,3r,4s,5s,6r)-2-[[3-[[(2r,3r,4r,5s,6r)-3,4-dioxido-6-(oxidomethyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-6-methyl-5-oxido-2h-pyridin-2-ylium-4-yl]methoxy]-6-(oxidomethyl)tetrahydropyran-2,3,4,5,6-pentaide-3,4,5-triolate
Molecular Mass 655.600 g·mol−1
Heat of Formation -3254.6 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 718.25 Å 3
Surface Area 538.25 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[5-hydroxy-6-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]pyridin-3-yl]methoxy]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-2-(hydroxymethyl)-6-[[5-hydroxy-6-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-3-pyridyl]methoxy]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-6-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxymethyl]-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-2-(hydroxymethyl)-6-[[5-hydroxy-6-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxymethyl]-3-pyridyl]methoxy]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 4'-o-(glucosyl)-5'-o-(cellobiosyl)pyridoxine
  • 4-gcbpd
  • beta-d-glucopyranoside, (4-((beta-d-glucopyranosyloxy)methyl)-5-hydroxy-6-methyl-3-pyridinyl)methyl 4-o-beta-d-glucopyranosyl-
CAS Number(s)
  • 116169-15-4
InChIKey OJTXTVZTLXRNTO-KLGPLAJBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N