2-Acetamido-2-Deoxy-α-D-Glucopyranosyl 6-Deoxy-α-L-Galactopyranosyl-(1->3)-2-Acetamido-2-Deoxy-Beta-D-Galactopyranoside

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Properties Simple | Detailed

Formula C22H38N2O15
IUPAC Name n-[(2r,3r,4r,5s,6r)-2-[(2s,3r,4r,5r,6r)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 570.542 g·mol−1
Heat of Formation -2874.2 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 652.49 Å 3
Surface Area 485.12 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.90 ± eV
Point Group Symmetry C1
Synonyms
  • fadgg
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
  • n-[(2s,3r,4r,5r,6r)-2-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-hydroxy-6-methylol-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
  • o-fucopyranosyl-(1-3)-o-(2-acetamido-2-deoxyglucopyranosyl)-(1-6)-2-acetamido-2-deoxygalactopyranoside
CAS Number(s)
  • 124040-67-1
InChIKey BFBQKMOGMKCDKP-XHCQCPSKSA-N
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