(6R)-5-Acetamido-4-Amino-2,6-Anhydro-3,4,5-Trideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C11H18N2O7
IUPAC Name (2r,3r,4s)-3-acetamido-4-amino-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 290.270 g·mol−1
Heat of Formation -1260.5 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 331.56 Å 3
Surface Area 293.97 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-4-amino-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetylamino-4-amino-6-((1r,2r)-1,2,3-trihydroxy-propyl)-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 4-amino-2-deoxy-2,3-dehydro-n-neuraminic acid
  • 4-amino-neu5ac2en
  • 4am
InChIKey NKENBBIXEGPQLS-UFGQHTETSA-N
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