(4S,5R,6R,7R,8S)-9-Acetoxy-4,5,6,7,8-Pentahydroxy-2-Oxononanoic Acid

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Formula C11H18O10
IUPAC Name (4s,5r,6r,7r,8s)-9-acetoxy-4,5,6,7,8-pentahydroxy-2-oxo-nonanoic acid
Molecular Mass 310.255 g·mol−1
Heat of Formation -1901.2 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 342.68 Å 3
Surface Area 317.04 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r,7r,8s)-9-acetoxy-4,5,6,7,8-pentahydroxy-2-keto-pelargonic acid
  • (4s,5r,6r,7r,8s)-9-acetoxy-4,5,6,7,8-pentahydroxy-2-oxo-nonanoic acid
  • (4s,5r,6r,7r,8s)-9-acetyloxy-4,5,6,7,8-pentahydroxy-2-oxo-nonanoic acid
  • (4s,5r,6r,7r,8s)-9-acetyloxy-4,5,6,7,8-pentahydroxy-2-oxononanoic acid
  • 9-o-ac-kdn
  • 9-o-acetyl-2-keto-3-deoxyglycero-galacto-nononic acid
  • 9-o-acetyl-deaminated neuraminic acid
CAS Number(s)
  • 126265-01-8
InChIKey MCOPCJADXIWIBB-LSFGRMBMSA-N
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