(6R)-5-Acetamido-2,6-Anhydro-6-{(1R,2R)-3-[(4-Azido-2-Hydroxybenzoyl)Amino]-1,2-Dihydroxypropyl}-3,5-Dideoxy-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C18H21N5O9
IUPAC Name (2r,3r,4s)-3-acetamido-2-[(1r,2r)-3-[(4-azido-2-hydroxy-benzoyl)amino]-1,2-dihydroxy-propyl]-4-hydroxy-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 451.387 g·mol−1
Heat of Formation -1234.9 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 496.45 Å 3
Surface Area 428.14 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-[(4-azido-2-hydroxy-benzoyl)amino]-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-[(4-azido-2-hydroxy-phenyl)carbonylamino]-1,2-dihydroxy-propyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-[(4-azido-2-hydroxybenzoyl)amino]-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-5-acetamido-6-[(1r,2r)-3-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]-1,2-dihydroxypropyl]-4-hydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
  • 5-(acetylamino)-2,6-anhydro-9-((4-azido-2-hydroxybenzoyl)amino)-2,5,9-trideoxy-d-glycero-d-galacto-non-2-enonic acid
  • 5-acetamido-2,6-anhydro-9-(4'-azido-2'-hydroxybenzamido)-3,5,9-trideoxygalacto-nonuloso-2-enonic acid
  • 5-n-acetyl-9-(4-azidosalicoylamido)-2-deoxy-2,3-didehydroneuraminic acid
  • asa-neu5ac2en
  • d-glycero-d-galacto-non-1-enonic acid, 5-(acetylamino)-2,6-anhydro-9-((4-ozido-2-hydroxybenzoyl)amino)-3,5,9-trideoxy-
  • neuac2en
CAS Number(s)
  • 129178-63-8
InChIKey MHIKLXCRRQQUIN-OVJXPFRRSA-N
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