2-Acetamido-3-O-(3-Acetamido-3,6-Dideoxy-β-D-Glucopyranosyl)-2-Deoxy-D-Galactose

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Properties Simple | Detailed

Formula C16H28N2O10
IUPAC Name n-[(2s,3r,4s,5s,6r)-2-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]acetamide
Molecular Mass 408.401 g·mol−1
Heat of Formation -1907.8 ± 16.7 kJ·mol−1
Dipole Moment 8.29 ± 1.08 D
Volume 472.38 Å 3
Surface Area 394.99 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetamido-3-o-(3-acetamido-3,6-dideoxy-beta-glucopyranosyl)-2-deoxy-galactopyranose
  • d-galactose, 2-(acetylamino)-3-o-(3-(acetylamino)-3,6-dideoxy-beta-d-glucopyranosyl)-2-deoxy-
  • n-[(2s,3r,4s,5s,6r)-2-[(1r,2s,3r)-1-[(1r)-1-acetamido-2-oxo-ethyl]-2,3,4-trihydroxy-butoxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl]acetamide
  • n-[(2s,3r,4s,5s,6r)-2-[(2r,3r,4s,5r)-2-acetamido-4,5,6-trihydroxy-1-oxo-hexan-3-yl]oxy-3,5-dihydroxy-6-methyl-oxan-4-yl]ethanamide
CAS Number(s)
  • 126247-65-2
InChIKey CJWXCNXHAIFFMH-AVZHFPDBSA-N
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