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

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Properties Simple | Detailed

Formula C14H23N3O10
IUPAC Name (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-(oxamoylamino)propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 393.347 g·mol−1
Heat of Formation -1870.1 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 437.22 Å 3
Surface Area 371.04 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-(oxamoylamino)propyl]-4-hydroxy-2-methoxy-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-(oxamoylamino)propyl]-4-hydroxy-2-methoxy-oxane-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-(oxamoylamino)propyl]-4-hydroxy-2-methoxy-tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-6-[(1r,2r)-1,2-dihydroxy-3-(oxamoylamino)propyl]-4-hydroxy-2-methoxyoxane-2-carboxylic acid
  • alpha methyl -9-(aminooxalyl-amino)-9-deoxyneu5ac, oxamido-neu5ac
  • methyl 5-(acetylamino)-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-d-glycero-alpha-d-gluco-non-2-ulopyranosidonic acid
  • nxd
InChIKey KJWFCLCEUZUZFP-BYBVIHBISA-N
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