2-Acetamido-2-Deoxy-3-O-β-D-Galactopyranosyl-D-Galactose

Molecule SVG Image

Properties Simple | Detailed

Formula C14H25NO11
IUPAC Name n-[(1r,2r,3s,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 -2090.9 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 423.22 Å 3
Surface Area 338.63 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetamido-2-deoxy-3-o-(beta-d-galactopyranosyl)-beta-d-galactopyranose
  • 2-acetamido-2-deoxy-3-o-(beta-galactopyranosyl)-d-galactose
  • antigen, erythrocyte t
  • beta-d-gal(1-3)alpha-d-galnac
  • beta-d-galactosyl(1-3)-n-acetyl-d-galactosamine
  • beta-galactosyl(1-3)-n-acetylgalactosamine
  • d-galactose, 2-(acetylamino)-2-deoxy-3-o-beta-d-galactopyranosyl-
  • erythrocyte t antigen
  • gal(beta-3)galnac
  • gal(beta1-3)galnac
  • gal-galnac
  • galbeta(1-3)galnac
  • n-[(1r,2r,3s,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,3s,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,3s,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,4s,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,4s,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
  • t-crypt antigen
  • thomsen-friedenreich antigen
  • thomson-friedenreich antigen
CAS Number(s)
  • 3554-90-3
InChIKey QCQYVCMYGCHVMR-AAZUGDAUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N