4-Nitrophenyl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonic Acid

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Formula C17H22N2O11
IUPAC Name (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 430.363 g·mol−1
Heat of Formation -1609.9 ± 16.7 kJ·mol−1
Dipole Moment 8.11 ± 1.08 D
Volume 468.76 Å 3
Surface Area 388.3 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
CAS Number(s)
  • 26055-78-7
InChIKey OICUZSPXIJAAEA-WTUOYXTGSA-N
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