4-Nitrophenyl (6R)-5-Acetamido-3,5-Dideoxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-β-L-Threo-Hex-2-Ulopyranosidonate

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Properties Simple | Detailed

Formula C17H21N2O11-
IUPAC Name (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Mass 429.355 g·mol−1
Heat of Formation 828.6 ± 16.7 kJ·mol−1
Dipole Moment 7.84 ± 1.08 D
Volume 460.57 Å 3
Surface Area 396.62 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylate
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(4-nitrophenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
  • 1-npana
  • 2-o-(4-nitrophenyl)-n-acetylneuraminic acid
  • 2-o-(p-nitrophenyl)-alpha-d-n-acetylneuraminic acid
  • 2-o-(p-nitrophenyl)-n-acetyl-alpha-neuraminic acid
  • 4-nitrophenyl n-acetyl-alpha-neuraminide
  • 4-nitrophenyl-5-acetamido-3,5-dideoxy-alpha-d-glycero-d-galacto-2-nonulopyranosidonic acid
  • alpha-neuraminic acid, n-acetyl-2-o-(4-nitrophenyl)- (9ci)
  • d-glycero-alpha-d-galacto-2-nonulopyranosidonic acid, 4-nitrophenyl 5-(acetylamino)-3,5-dideoxy-
  • d-glycero-alpha-d-galacto-2-nonulopyranosidonic acid, 4-nitrophenyl 5-(acetylamino)-3,5-dideoxy-, ion(1-)
  • d-glycero-d-galacto-nonulopyranosidonic acid, p-nitrophenyl 5-acetamido-3,5-dideoxy-, alpha- (8ci)
  • neunac-4-nitrophenol
  • np-nan
  • p-nitrophenyl n-acetyl-alpha-d-neuraminide
  • p-nitrophenyl n-acetyl-alpha-neuraminide
CAS Number(s)
  • 26112-88-9
InChIKey OICUZSPXIJAAEA-WTUOYXTGSA-M
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