α-D-Galactopyranosyl-(1->4)-[Beta-D-Galactopyranosyl-(1->3)]-2-Acetamido-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C20H35NO16
IUPAC Name (2r,3r,4s,5r,6r)-2-[(1r,2r,3r)-3-acetylazanidyl-1-[(1r)-1,2-dioxidoethyl]-4-oxo-2-[(2r,3r,4s,5r,6r)-3,4,5-trioxido-6-(oxidomethyl)tetrahydropyran-2-yl]oxy-butoxy]-6-(oxidomethyl)tetrahydropyran-3,4,5-triolate
Molecular Mass 545.489 g·mol−1
Heat of Formation -3031.1 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 599.29 Å 3
Surface Area 430.52 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • agnala
  • alpha-d-galactose-(1-3)-n-acetyllactosamine
  • alpha-galactose-(1-3)-n-acetyllactosamine
  • d-glucose, o-alpha-d-galactopyranosyl-(1-3)-o-beta-d-galactopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2,3-bis[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2,3-bis[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2,3-bis[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]pentyl]acetamide
  • n-[(2r,3r,4r,5r)-5,6-dihydroxy-1-oxo-3,4-bis[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexan-2-yl]acetamide
  • n-[(2r,3r,4r,5r)-5,6-dihydroxy-1-oxo-3,4-bis[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexan-2-yl]ethanamide
CAS Number(s)
  • 77356-46-8
InChIKey NSTZVLOIOXVFME-DDPRLCHJSA-N
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