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

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Properties Simple | Detailed

Formula C11H18N2O7
IUPAC Name (2r,3r,4s)-3-acetamido-2-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 290.270 g·mol−1
Heat of Formation -1259.1 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 328.72 Å 3
Surface Area 291.62 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 9-amino-2-deoxy-2,3-dehydro-n-acetyl-neuraminic acid
  • 9am
InChIKey VJTPBNUXDULDQD-UFGQHTETSA-N
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