2-Acetamido-2-Deoxy-3-O-B-D-Galactopyranosyl-D-Glucose

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25NO11
IUPAC Name n-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(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 -2059.6 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 433.87 Å 3
Surface Area 344.7 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • d-glucose, 2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-
  • gal-1,3-glcnac
  • galactosyl-1,3-n-acetylglucosamine
  • lacto-n-biose i
  • n-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentyl]acetamide
  • n-[(2r,3r,4r,5r)-4,5,6-trihydroxy-1-oxo-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexan-2-yl]ethanamide
  • n-[(2r,3r,4r,5r)-4,5,6-trihydroxy-1-oxo-3-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
CAS Number(s)
  • 50787-09-2
InChIKey QCQYVCMYGCHVMR-ZBELOFFLSA-N
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