2-Acetamido-2-Deoxy-6-O-β-D-Galactopyranosyl-D-Galactose

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25NO11
IUPAC Name n-[(1r,2r,3r,4r)-1-formyl-2,3,4-trihydroxy-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]acetamide
Molecular Mass 383.348 g·mol−1
Heat of Formation -2085.2 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 428.93 Å 3
Surface Area 337.48 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 6-o-galactopyranosyl-2-acetamido-2-deoxygalactose
  • beta-d-gal(1-6)-galnac
  • beta-galactose(1-6)-n-acetylgalactosamine
  • d-galactose, 2-(acetylamino)-2-deoxy-6-o-beta-d-galactopyranosyl-, (8s-cis)-
  • n-[(1r,2r,3r,4r)-1-formyl-2,3,4-trihydroxy-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-2,3,4-trihydroxy-5-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-2,3,4-trihydroxy-5-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentyl]acetamide
  • n-[(2r,3r,4r,5r)-3,4,5-trihydroxy-1-oxo-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexan-2-yl]ethanamide
  • n-[(2r,3r,4r,5r)-3,4,5-trihydroxy-1-oxo-6-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
CAS Number(s)
  • 72142-81-5
InChIKey FGYNENQLWILFLQ-WXOWSPKHSA-N
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