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

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Properties Simple | Detailed

Formula C12H22N2O8
IUPAC Name (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 322.312 g·mol−1
Heat of Formation -1512.6 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 370.23 Å 3
Surface Area 311.84 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-2-methoxy-oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxy-propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxypropyl]-4-hydroxy-2-methoxy-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-amino-1,2-dihydroxypropyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
  • 9-deoxy-9-amino-2-o-methyl-5-n-acetyl-alpha-d-neuraminic acid
InChIKey LMLQOZLLZRAPEM-MIDKXNQYSA-N
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