3-O-(2-Acetamido-2-Deoxy-α-D-Galactopyranosyl)-D-Galactose

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Properties Simple | Detailed

Formula C14H25NO11
IUPAC Name n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butoxy]tetrahydropyran-3-yl]acetamide
Molecular Mass 383.348 g·mol−1
Heat of Formation -2050.5 ± 16.7 kJ·mol−1
Dipole Moment 7.00 ± 1.08 D
Volume 429.06 Å 3
Surface Area 343.95 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.46 ± eV
Point Group Symmetry C1
Synonyms
  • d-galactose, 3-o-(2-(acetylamino)-2-deoxy-alpha-d-galactopyranosyl)-
  • galnacalpha1-3gal
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxo-ethyl]butoxy]tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-oxoethyl]butoxy]-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxo-hexan-3-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]oxyoxan-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-methylol-2-[(1s,2s,3r)-2,3,4-trihydroxy-1-[(1r)-1-hydroxy-2-keto-ethyl]butoxy]tetrahydropyran-3-yl]acetamide
  • n-acetylgalactosaminyl-alpha(1-3)galactose
CAS Number(s)
  • 66781-75-7
InChIKey MGEICUVBTAEZNP-IVEGRXJSSA-N
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