2-Acetamido-2-Deoxy-β-D-Glucopyranosyl β-D-Galactopyranosyl-(1->3)-2-Acetamido-1-C-Benzyl-2-Deoxy-Alpha-D-Galactopyranoside

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Properties Simple | Detailed

Formula C29H44N2O16
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3r,4r,5r,6r)-3-acetamido-2-benzyl-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 676.663 g·mol−1
Heat of Formation -2976.4 ± 16.7 kJ·mol−1
Dipole Moment 9.64 ± 1.08 D
Volume 765.46 Å 3
Surface Area 537.63 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • benzyl o-galactopyranosyl-(1-3)-o-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalactopyranoside
  • bgadgg
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-(benzyl)-5-hydroxy-6-methylol-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5r,6r)-2-[[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-(phenylmethyl)-4-[[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydropyranyl]acetamide
CAS Number(s)
  • 124040-62-6
InChIKey LVRUBFDCPPFISJ-ILRWZOIZSA-N
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