Lewis A Trisaccharide

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Properties Simple | Detailed

Formula C20H35NO15
IUPAC Name n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pentyl]acetamide
Molecular Mass 529.490 g·mol−1
Heat of Formation -2870.7 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 590.8 Å 3
Surface Area 438.11 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • fgagafl
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-1-formyl-4,5-dihydroxy-2-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-[[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxy]pentyl]acetamide
  • n-[(2r,3r,4r,5r)-5,6-dihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-hexan-2-yl]ethanamide
  • n-[(2r,3r,4r,5r)-5,6-dihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
  • o-fucopyranosyl-(1-3)-o-galactopyranosyl-(1-4)-2-acetamido-2-deoxyglucopyranose (n-acetyl-3'-o-fucopyranosyllactosamine)
CAS Number(s)
  • 121686-59-7
InChIKey HHQLEBOUBWWITP-KPYHOPCKSA-N
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