N-Acetylgalactosamine 4-Sulphate

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Properties Simple | Detailed

Formula C8H15NO9S
IUPAC Name [(1r,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butyl] hydrogen sulfate
Molecular Mass 301.271 g·mol−1
Heat of Formation -1681.6 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 312.03 Å 3
Surface Area 271.46 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-butyl] hydrogen sulfate
  • [(1r,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butyl] hydrogen sulfate
  • [(1r,2r,3r)-3-acetamido-1-[(1r)-1,2-dihydroxyethyl]-2-hydroxy-4-oxobutyl] hydrogen sulfate
  • [(2r,3r,4r,5r)-5-acetamido-1,2,4-trihydroxy-6-oxo-hexan-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] hydrogen sulfate
  • d-galactose, 2-(acetylamino)-2-deoxy-, 4-(hydrogen sulfate)
  • d-galctose, 2-(acetylamino)-2-deoxy-, 4-(hydrogen sulfate)
  • n-acetylgalactosamine 4-sulfate
  • nag-4-s
CAS Number(s)
  • 45233-43-0
InChIKey RKFMAQNDSSSRTH-OSMVPFSASA-N
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