N-Acetyl-α-Neuraminic Acid

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Properties Simple | Detailed

Formula C11H19NO9
IUPAC Name (2r,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 309.270 g·mol−1
Heat of Formation -1754.1 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 341.25 Å 3
Surface Area 295.37 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2,4-dihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 5-n-acetyl-alpha-d-neuraminic acid
  • sia
InChIKey SQVRNKJHWKZAKO-YRMXFSIDSA-N
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