2-Acetamido-2,4-Dideoxy-4-Fluoro-3-O-β-D-Galactopyranosyl-D-Glucose

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Properties Simple | Detailed

Formula C14H24FNO10
IUPAC Name n-[(1r,2r,3r,4r)-3-fluoro-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]acetamide
Molecular Mass 385.339 g·mol−1
Heat of Formation -2055.1 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 429.11 Å 3
Surface Area 354.34 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetamido-2,4-dideoxy-4-fluoro-3-o-beta-d-galactopyranosyl-d-glucopyranose
  • 2-acetamido-2,4-dideoxy-4-fluoro-3-o-galactopyranosylglucopyranose
  • 2-adfgg
  • d-glucose, 2-(acetylamino)-2,4-dideoxy-4-fluoro-3-o-beta-d-galactopyranosyl-
  • n-[(1r,2r,3r,4r)-3-fluoro-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-3-fluoro-1-formyl-4,5-dihydroxy-2-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-pentyl]acetamide
  • n-[(1r,2r,3r,4r)-3-fluoro-1-formyl-4,5-dihydroxy-2-[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]pentyl]acetamide
  • n-[(2r,3r,4r,5r)-4-fluoro-5,6-dihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hexan-2-yl]ethanamide
  • n-[(2r,3r,4r,5r)-4-fluoro-5,6-dihydroxy-1-oxo-3-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
CAS Number(s)
  • 115973-73-4
InChIKey JECDNZXSKDDKEU-ZBELOFFLSA-N
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