2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->2)-[β-D-Galactopyranosyl-(1->3)]-D-Mannose

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Properties Simple | Detailed

Formula C20H35NO16
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(1s,2s,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 545.489 g·mol−1
Heat of Formation -2959.4 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 622.45 Å 3
Surface Area 442.99 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • d-mannose, o-beta-d-galactopyranosyl-(1-4)-o-2-(acetylamino)-2-deoxy-beta-d-glucopyranosyl-(1-2)-
  • gal-1-4-glcnac-1-2-man
  • galactopyranosyl-1-4-n-acetylglucosaminyl-1-2-mannopyranose
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2s,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2s,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-pentoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[(1s,2s,3r,4r)-1-formyl-3,4,5-trihydroxy-2-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentoxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3s,4r,5r)-4,5,6-trihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2s,3s,4r,5r)-4,5,6-trihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]oxyoxan-3-yl]acetamide
CAS Number(s)
  • 62398-02-1
InChIKey MDDWYGUMCGIAAS-VMKCDMORSA-N
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