(6R)-5-Acetamido-6-[(1S,2R)-2-Acetoxy-1,3-Dihydroxypropyl]-3,5-Dideoxy-α-L-Threo-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C13H21NO10
IUPAC Name (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-acetoxy-1,3-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 351.307 g·mol−1
Heat of Formation -1938.0 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 394.55 Å 3
Surface Area 329.17 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-acetoxy-1,3-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-acetoxy-1,3-dihydroxypropyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-acetyloxy-1,3-dihydroxy-propyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1s,2r)-2-acetyloxy-1,3-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • 8-anana
  • 8-o-acetyl-n-acetylneuraminic acid
  • d-glycero-d-galacto-2-nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-, 8-acetate
CAS Number(s)
  • 18529-64-1
InChIKey PPOPOQUIFLBQOB-GRRZBWEESA-N
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