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

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Properties Simple | Detailed

Formula C11H19N3O6
IUPAC Name (2r,3r,4s)-3-acetamido-4-amino-2-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 289.285 g·mol−1
Heat of Formation -1057.7 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 334.2 Å 3
Surface Area 295.36 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-4-amino-6-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-4-amino-6-[(1r,2r)-3-amino-1,2-dihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 4,9-amino-2,4-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
  • 49a
InChIKey XDWUALXMEIYOQM-UFGQHTETSA-N
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