2-Acetamido-2-Deoxy-4-O-Sulfo-β-D-Galactopyranose

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Formula C8H15NO9S
IUPAC Name [(2r,3r,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
Molecular Mass 301.271 g·mol−1
Heat of Formation -1677.3 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 299.93 Å 3
Surface Area 264.97 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl] hydrogen sulfate
  • [(2r,3r,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate
  • [(2r,3r,4r,5r,6r)-5-acetamido-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl] hydrogen sulfate
  • acetylgalactosamine-4-sulfate
  • asg
  • ngl
InChIKey WHCJUIFHMJFEFZ-UIAUGNHASA-N
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