1,3,4,6-Tetra-O-Acetyl-2-Deoxy-2-[(Trifluoroacetyl)Amino]-α-D-Mannopyranose

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Formula C16H20F3NO10
IUPAC Name [(2r,3s,4r,5s,6r)-3,4,6-triacetoxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]methyl acetate
Molecular Mass 443.326 g·mol−1
Heat of Formation -2552.2 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 464.68 Å 3
Surface Area 376.83 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-4-yl] acetate
  • [(2r,3s,4r,5s,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-(2,2,2-trifluoroethanoylamino)oxan-4-yl] ethanoate
  • [(2r,3s,4r,5s,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
  • acetic acid [(2r,3s,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-tetrahydropyranyl] ester
  • acetic acid [(2r,3s,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-4-yl] ester
InChIKey XSSGVGGOUZKLAR-ITGHMWBKSA-N
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