Methyl 2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->4)-2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->4)-2-Acetamido-2-Deoxy-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C25H43N3O16
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 641.619 g·mol−1
Heat of Formation -2991.4 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 738.39 Å 3
Surface Area 574.76 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-glucopyranoside, methyl o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-4)-o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
  • n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-5-[[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-[[(2r,3s,4r,5r,6r)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxy-3-tetrahydropyranyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • o-methyl-tri-n-acetyl-beta-chitotrioside
CAS Number(s)
  • 24322-43-8
InChIKey HUMUJLSYPYYXMI-NSSPCJBKSA-N
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