2-Acetamido-4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C16H28N2O11
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 424.400 g·mol−1
Heat of Formation -2023.7 ± 16.7 kJ·mol−1
Dipole Moment 7.36 ± 1.08 D
Volume 497.65 Å 3
Surface Area 377.23 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-4o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-d-glucose
  • bis(n-acetyl)chitobiose
  • di-n-acetylchitobiose
  • n,n'-diacetylchitobioside
  • n,n-diacetylchitobiose
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-butoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxobutoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-1,2,4-trihydroxy-6-oxo-hexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CAS Number(s)
  • 2706-64-1
  • 29657-56-5
  • 13088-78-3
  • 21950-31-2
  • 24870-43-7
InChIKey PLJAKLUDUPBLGD-VLWZLFBZSA-N
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