2-Acetamido-2-Deoxy-β-D-Galactopyranosyl-(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,5r,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 -2971.1 ± 16.7 kJ·mol−1
Dipole Moment 8.10 ± 1.08 D
Volume 659.02 Å 3
Surface Area 470.43 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
Synonyms
  • d-galactose, o-2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl-(1-4)-o-beta-d-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-
  • desialylated human cad antigenic determinant
  • ds-cad
  • n-[(2s,3r,4r,5r,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
  • n-[(2s,3r,4r,5r,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]oxy-hexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • o-(2-acetamido-2-deoxygalactopyranosyl)(1-4)-o-galactopyranosyl(1-3)-2-acetamido-2-deoxygalactopyranose
CAS Number(s)
  • 110101-22-9
InChIKey ASGUPKXCDOJNJC-IHQAUTJNSA-N
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