2-Acetamido-4-O-(2-Acetamido-2-Deoxy-4-O-Sulfo-β-D-Galactopyranosyl)-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C16H28N2O14S
IUPAC Name [(2r,3r,4r,5r,6s)-5-acetamido-6-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 504.464 g·mol−1
Heat of Formation -2506.2 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 560.04 Å 3
Surface Area 414.2 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-4-o-sulfogalactopyranosyl)-2-deoxyglucose
  • [(2r,3r,4r,5r,6s)-5-acetamido-6-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-butoxy]-4-hydroxy-2-methylol-tetrahydropyran-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-6-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-6-[(1s,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxobutoxy]-4-hydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4r,5r,6s)-5-acetamido-6-[(2r,3s,4r,5r)-5-acetamido-1,2,4-trihydroxy-6-oxo-hexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • d-glucose, 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-4-o-sulfo-beta-d-galactopyranosyl)-2-deoxy-
  • so4-4-galnac-1-4-glcnac
  • so4-4-galnacbeta1,4glcnacbeta
CAS Number(s)
  • 143502-17-4
InChIKey VUIPMKPVLKMGIH-HGSIGRAESA-N
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