3-Methoxyphenyl (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 C18H25NO10
IUPAC Name (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(3-methoxyphenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
Molecular Mass 415.392 g·mol−1
Heat of Formation -1794.6 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 460.3 Å 3
Surface Area 355.45 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(3-methoxyphenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-2-tetrahydropyrancarboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(3-methoxyphenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
  • (2s,4s,5r,6r)-5-acetamido-4-hydroxy-2-(3-methoxyphenoxy)-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
  • 2(3'-methoxyphenyl)-n-acetylneuraminic acid
  • 5-ampna
  • 5-n-acetyl-2-o-(3-methoxyphenyl)-alpha-d-neuraminic acid
  • d-glycero-alpha-d-galacto-2-nonulopyranosidonic acid, 3-methoxyphenyl 5-(acetylamino)-3,5-dideoxy-
CAS Number(s)
  • 24751-40-4
InChIKey FFQZDUPSNPAFTE-DGYIVEFISA-N
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