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

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Properties Simple | Detailed

Formula C12H21NO9
IUPAC Name (2r,4s,5r,6r)-5-acetamido-4-hydroxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 323.296 g·mol−1
Heat of Formation -1726.7 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 363.87 Å 3
Surface Area 308.39 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-4-hydroxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-hydroxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-hydroxy-2-methoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 2-o-methyl-5-n-acetyl-alpha-d- neuraminic acid
  • mna
InChIKey NJRVVFURCKKXOD-MIDKXNQYSA-N
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