(4S,5R,6R,7R,8R)-5-Acetamido-9-Azido-4,6,7,8-Tetrahydroxy-2-Oxononanoic Acid

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Formula C11H18N4O8
IUPAC Name (4s,5r,6r,7r,8r)-5-acetamido-9-azido-4,6,7,8-tetrahydroxy-2-oxo-nonanoic acid
Molecular Mass 334.283 g·mol−1
Heat of Formation -1224.6 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 367.87 Å 3
Surface Area 322.34 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r,7r,8r)-5-acetamido-9-azido-4,6,7,8-tetrahydroxy-2-keto-pelargonic acid
  • (4s,5r,6r,7r,8r)-5-acetamido-9-azido-4,6,7,8-tetrahydroxy-2-oxo-nonanoic acid
  • 5-acetamido-9-azido-3,5,9-trideoxy-d-glycero-d-galacto-2-nonulosonic acid
  • 5-acetamido-9-azido-3,5,9-trideoxyglycerogalacto-2-nonulosonic acid
  • d-glycero-d-galacto-2-nonulosonic acid, 5-(acetylamino)-9-azido-3,5,9-trideoxy-
  • neuac 9-azide
CAS Number(s)
  • 76487-51-9
InChIKey RCMJNJVGOFCOSP-BOHATCBPSA-N
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