(6R)-4,5-Diacetamido-3,4,5-Trideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-α-L-Threo-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C13H22N2O9
IUPAC Name (2s,4s,5r,6r)-4,5-diacetamido-2-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 350.322 g·mol−1
Heat of Formation -1758.1 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 398.39 Å 3
Surface Area 341.5 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-4,5-diacetamido-2-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-4,5-diacetamido-2-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-4,5-diacetamido-2-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 4-acetamido-4-deoxy-n-acetylneuraminic acid
  • 4-adana
  • d-glycero-beta-d-galacto-2-nonulopyranosonic acid, 4,5-bis(acetylamino)-3,4,5-trideoxy-
  • n-acetyl-4-deoxy-4-acetamidoneuraminic acid
CAS Number(s)
  • 127099-59-6
InChIKey JXZIXEZQGBPRDS-GRRZBWEESA-N
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