2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->4)-[β-D-Galactopyranosyl-(1->3)]-2-Acetamido-2-Deoxy-D-Galactose

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Properties Simple | Detailed

Formula C22H38N2O16
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-4-oxo-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 586.541 g·mol−1
Heat of Formation -2957.5 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 655.97 Å 3
Surface Area 471.75 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • galactosyl beta(1-3)-n-acetylglucosaminyl-beta(1-6)-n-acetylgalactosamine
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-4-keto-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-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]-4-oxo-2-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]butoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CAS Number(s)
  • 73499-58-8
InChIKey ASGUPKXCDOJNJC-INXDIBGXSA-N
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