(6R)-5-Acetamido-2-Allyl-2,6-Anhydro-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Lyxo-Hexonic Acid

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Formula C14H23NO8
IUPAC Name (2r,4s,5r,6r)-5-acetamido-2-allyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 333.334 g·mol−1
Heat of Formation -1502.4 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 391.14 Å 3
Surface Area 326.85 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy 3.47 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,4s,5r,6r)-5-acetamido-2-allyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-2-allyl-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • (2r,4s,5r,6r)-5-acetamido-4-hydroxy-2-prop-2-enyl-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • 2-propenyl-n-acetyl-neuramic acid
  • cnp
InChIKey IUGVDRFIVSPVGO-KXEMTNKZSA-N
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