2,3-Dehydro-2-Deoxy-N-Acetylneuraminic Acid

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Properties Simple | Detailed

Formula C11H17NO8
IUPAC Name (2r,3r,4s)-3-acetamido-4-hydroxy-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 291.255 g·mol−1
Heat of Formation -1462.2 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 319.79 Å 3
Surface Area 285.56 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
  • 2-deoxy-2,3-dehydro-n-acetylneuraminic acid
  • 2-deoxy-2,3-didehydro-d-n--acetylneuraminic acid
  • 5-acetamido-2,6-anhydro-3,5-dideoxy-d-glycero-d-galacto-non-2-enonic acid
  • 6-((2r)-1,2,3-trihydroxypropyl)(4s,5r,6r)-5-(acetylamino)-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • d-glycero-d-galacto-non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-
  • dana
  • n-acetyl-2,3-dehydro-2-deoxyneuraminic acid
  • n-acetyl-2,3-didehydro-2-deoxyneuraminic acid
  • neu5ac2en
CAS Number(s)
  • 24967-27-9
InChIKey JINJZWSZQKHCIP-UFGQHTETSA-N
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