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

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Formula C11H18FNO8
IUPAC Name (4s,5r,6r,7s,8s)-5-acetamido-9-fluoro-4,6,7,8-tetrahydroxy-2-oxo-nonanoic acid
Molecular Mass 311.261 g·mol−1
Heat of Formation -1753.1 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 343.39 Å 3
Surface Area 307.75 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r,7s,8s)-5-acetamido-9-fluoro-4,6,7,8-tetrahydroxy-2-keto-pelargonic acid
  • (4s,5r,6r,7s,8s)-5-acetamido-9-fluoro-4,6,7,8-tetrahydroxy-2-oxo-nonanoic acid
  • nadfna
CAS Number(s)
  • 85819-28-9
InChIKey CAYNAADKIUGQOQ-BOHATCBPSA-N
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