(6R)-5-Acetamido-6-[(1R,2R)-3-Acetoxy-1,2-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-[(1r,2r)-3-acetoxy-1,2-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 351.307 g·mol−1
Heat of Formation -1960.0 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 391.71 Å 3
Surface Area 343.47 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetoxy-1,2-dihydroxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetoxy-1,2-dihydroxypropyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxy-propyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • 5-acetamido-9-o-acetyl-3,5-dideoxy-d-glycero-beta-d-galacto-non-2-ulopyranosonic acid
  • 9-anana
  • 9-o-acetyl-n-acetylneuraminic acid
  • 9-o-acetylsialic acid
  • d-glycero-d-galacto-2-nonulosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-acetate
  • n-acetyl-9-o-acetylneuraminic acid
CAS Number(s)
  • 55717-54-9
InChIKey NYWZBRWKDRMPAS-GRRZBWEESA-N
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