Methyl 6-Deoxy-α-L-Galactopyranosyl-(1->2)-Beta-D-Galactopyranosyl-(1->3)-2-Acetamido-2-Deoxy-Beta-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22NO15
IUPAC Name (2r,4s,7r,8r)-8-[(1r)-1-isocyano-2-oxo-ethyl]-5-oxo-2-[(1r)-2-oxo-1-[(1s)-2-oxo-1-vinyloxy-ethoxy]ethyl]-7-(2-oxovinyl)-1,3,6-trioxocane-4-carbaldehyde; methanone; oxaldehyde
Molecular Mass 528.397 g·mol−1
Heat of Formation -2862.4 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 608.6 Å 3
Surface Area 447.24 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.58 ± eV
Point Group Symmetry C1
Synonyms
  • me fuc-gal-glcnac
  • methyl o-fucopyranosyl-(1-2)-o-galactopyranosyl-(1-3)-2-acetamido-2-deoxyglucopyranoside
  • n-[(2r,3r,4r,5s,6r)-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-methylol-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-4-[[(2r,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-methoxy-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 102271-18-1
InChIKey WXRMXXGTANSIIT-WTTZGDCASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N