2-Acetamido-4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-Alpha-D-Glucopyranose

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Formula C16H28N2O11
IUPAC Name n-[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 424.400 g·mol−1
Heat of Formation -2121.4 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 483.3 Å 3
Surface Area 397.0 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • di(n-acetyl-d-glucosamine)
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6s)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • nag-(1-4)nag
InChIKey CDOJPCSDOXYJJF-JSCVLIECSA-N
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