(6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2-Dihydroxy-3-{[(2S)-2-Hydroxypropanoyl]Oxy}Propyl]-β-L-Threo-Hex-2-Ulopyranosonic Acid

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Properties Simple | Detailed

Formula C14H23NO11
IUPAC Name (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(2s)-2-hydroxypropanoyl]oxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 381.333 g·mol−1
Heat of Formation -2089.2 ± 16.7 kJ·mol−1
Dipole Moment 7.14 ± 1.08 D
Volume 417.04 Å 3
Surface Area 342.92 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(2s)-2-hydroxy-1-oxopropoxy]propyl]-2,4-dihydroxy-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(2s)-2-hydroxypropanoyl]oxy-propyl]-2,4-dihydroxy-oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(2s)-2-hydroxypropanoyl]oxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-[(2s)-2-hydroxypropanoyl]oxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-lactoyloxy-propyl]-2,4-dihydroxy-tetrahydropyran-2-carboxylic acid
  • 9-o-lactyl-n-acetylneuraminic acid
  • d-glycero-alpha-d-galacto-2-nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-(2-hydroxypropanoate), (s)-
  • n-acetyl-9-o-l-lactylneuraminic acid
  • n-acetyl-9-o-lactylneuraminic acid
CAS Number(s)
  • 58718-38-0
InChIKey XXNWSGSWDRDYLR-ITLAUYTFSA-N
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