β-D-Galactopyranosyl-(1->4)-2-Acetamido-2-Deoxy-β-D-Galactopyranosyl-(1->6)-β-D-Galactopyranose

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Properties Simple | Detailed

Formula C20H21NO16
IUPAC Name n-[(2r,3r,4r,5r,6r)-4-hydroxy-6-(hydroxymethyl)-2-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Molecular Mass 531.378 g·mol−1
Heat of Formation -3010.8 ± 16.7 kJ·mol−1
Dipole Moment 11.13 ± 1.08 D
Volume 592.28 Å 3
Surface Area 461.12 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • beta-d-galactopyranose, o-beta-d-galactopyranosyl-(1-4)-o-2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl-(1-6)-, (e,e)-
  • betadgal(1-4)betadgalnac(1-6)betadgal
  • gal(1-4)galnac(1-6)gal
  • galactopyranosyl(1-4)-n-acetylgalactosaminyl(1-6)galactose
  • n-[(2r,3r,4r,5r,6r)-4-hydroxy-6-(hydroxymethyl)-2-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]methoxy]-5-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4-hydroxy-6-(hydroxymethyl)-2-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-4-hydroxy-6-(hydroxymethyl)-2-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-4-hydroxy-6-methylol-2-[[(2r,3r,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 99339-98-7
InChIKey VZIJAGXHAXHZJU-AGSYSVDKSA-N
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