(1R,5S)-2-Acetamido-1,5-Anhydro-2,4-Dideoxy-5-Phosphono-1-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Pentitol

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Formula C10H20NO9P
IUPAC Name [(2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]phosphonic acid
Molecular Mass 329.241 g·mol−1
Heat of Formation -2005.7 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 351.38 Å 3
Surface Area 301.16 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 4-acetamido-2,4-didexoy-d-glycero-beta-d-galacto-octopyranosylphosphonic acid (an axial phosphonate)
  • [(2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyranyl]phosphonic acid
  • [(2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]phosphonic acid
  • [(2s,4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]phosphonic acid
  • axp
InChIKey QITAGYVZDNZULE-HDBWYCHPSA-N
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