2-Acetamido-6-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-D-Galactose

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Properties Simple | Detailed

Formula C16H28N2O11
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 424.400 g·mol−1
Heat of Formation -2063.3 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 487.75 Å 3
Surface Area 389.42 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-6-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-d-galactose
  • d-galactose, 2-(acetylamino)-6-o-(2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-
  • glcnacbeta1-6galnac
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-keto-hexoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[(2r,3r,4r,5r)-5-acetamido-2,3,4-trihydroxy-6-oxohexoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-acetylglucosaminyl beta(1-6)n-acetylgalactosamine
CAS Number(s)
  • 136036-84-5
InChIKey INPSEHNBUMPUQB-BJMGCPOCSA-N
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