β-D-Galactopyranosyl-(1->3)-2-Acetamido-2-Deoxy-β-D-Glucopyranosyl-(1->3)-β-D-Galactopyranosyl-(1->4)-β-D-Glucopyranose

Molecule SVG Image

Properties Simple | Detailed

Formula C26H20NO21
IUPAC Name (2s,3r)-3-[(1r,2r,3r)-2-isocyano-4-oxo-1-(2-oxovinyloxy)-3-[3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-id-2-yl]oxy-butoxy]-4-oxo-1-[4,5,6-trioxo-2-(oxomethylene)tetrahydropyran-3-id-3-yl]oxy-butan-2-olate; methanone
Molecular Mass 682.431 g·mol−1
Heat of Formation -3920.8 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 763.09 Å 3
Surface Area 593.05 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-gal-(1-->3)-.beta.-d-glcnac-(1-->3)-.beta.-d-gal-(1-->4)-.beta.-d-glc
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2s,3r,4r,5s,6r)-2-[[(2r,3s,4s,5r,6s)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-4-tetrahydropyranyl]oxy]-5-hydroxy-6-(hydroxymethyl)-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 13007-32-4
InChIKey AXQLFFDZXPOFPO-UNTPKZLMSA-N
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