N-{3-[(2-Acetamido-2-Deoxy-β-D-Galactopyranosyl)Oxy]Propyl}-2,2,2-Trifluoroacetamide

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Properties Simple | Detailed

Formula C13H21F3N2O7
IUPAC Name n-[3-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropyl]-2,2,2-trifluoro-acetamide
Molecular Mass 374.310 g·mol−1
Heat of Formation -1962.5 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 412.04 Å 3
Surface Area 348.41 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • acetamide, n-(3-((2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl)oxy)propyl)-2,2,2-trifluoro-
  • n-[3-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoro-ethanamide
  • n-[3-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
  • n-[3-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropyl]-2,2,2-trifluoro-acetamide
  • n-[3-[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropyl]-2,2,2-trifluoro-acetamide
  • n-[3-[[(2r,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]propyl]-2,2,2-trifluoroacetamide
  • tfapadg
  • trifluoroacetamidopropyl-2-acetamido-2-deoxygalactopyranoside
CAS Number(s)
  • 122998-73-6
InChIKey PMGBPPBZXKSUBY-KAMPLNKDSA-N
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