2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-4-O-β-D-Xylopyranosyl-β-D-Xylopyranoside

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Properties Simple | Detailed

Formula C16H19FN2O12
IUPAC Name (2s,3r,4s,5r)-2-[(3r,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
Molecular Mass 450.327 g·mol−1
Heat of Formation -1537.3 ± 16.7 kJ·mol−1
Dipole Moment 9.83 ± 1.08 D
Volume 457.35 Å 3
Surface Area 394.63 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy 1.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5r)-2-[(3r,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-oxan-3-yl]oxyoxane-3,4,5-triol
  • (2s,3r,4s,5r)-2-[(3r,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5r)-2-[(3r,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
  • (2s,3r,4s,5r)-2-[[(3r,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-3-tetrahydropyranyl]oxy]tetrahydropyran-3,4,5-triol
  • 2',4'-dinitrophenyl 2-deoxy-2-fluoro-beta-xylobioside
  • dnp2fxb
CAS Number(s)
  • 156271-23-7
InChIKey YIUHELLWGHNYQR-OXBKXAJBSA-N
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