Methyl 2-Deoxy-4-O-{2-Deoxy-2-[(Trifluoroacetyl)Amino]-β-D-Glucopyranosyl}-2-[(Trifluoroacetyl)Amino]-β-D-Glucopyranoside

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Formula C17H24F6N2O11
IUPAC Name n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-2,2,2-trifluoro-acetamide
Molecular Mass 546.370 g·mol−1
Heat of Formation -3242.7 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 555.64 Å 3
Surface Area 443.77 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (cf3)2cb
  • 1-o-methyl-di-n-trifluoroacetyl-beta-chitobioside
  • beta-d-glucopyranoside, methyl 2-deoxy-4-o-(2-deoxy-2-((trifluoroacetyl)amino)-beta-d-glucopyranosyl)-2-((trifluoroacetyl)amino)-
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(2,2,2-trifluoroethanoylamino)oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]-2,2,2-trifluoro-ethanamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-2,2,2-trifluoro-acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[(2r,3s,4r,5r,6r)-4-hydroxy-6-methoxy-2-methylol-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3-yl]-2,2,2-trifluoro-acetamide
  • n-[(2s,3r,4r,5s,6r)-4,5-dihydroxy-2-[[(2r,3s,4r,5r,6r)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)-3-tetrahydropyranyl]-2,2,2-trifluoroacetamide
CAS Number(s)
  • 76418-42-3
InChIKey HRJYAJICPXUCTB-ZPYORWKPSA-N
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