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

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Properties Simple | Detailed

Formula C16H28N2O11
IUPAC Name n-[(2s,3r,4r,5r,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 -2038.8 ± 16.7 kJ·mol−1
Dipole Moment 6.61 ± 1.08 D
Volume 491.09 Å 3
Surface Area 372.87 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl)-2-deoxy-d-glucose
  • 2-acetamido-4-o-(2-acetamido-2-deoxygalactopyranosyl)-2-deoxyglucopyranose
  • d-glucose, 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl)-2-deoxy-
  • galnac-1-4-glcnac
  • lacdinac
  • n,n'-diacetyllactosediamine
  • n-[(2s,3r,4r,5r,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,5r,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,5r,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,5r,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,5r,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
  • n-acetylgalactosaminyl-1-4-n-acetylglucosamine
CAS Number(s)
  • 136198-41-9
InChIKey PLJAKLUDUPBLGD-HFMMELOMSA-N
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