2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-4-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Formula C18H23FN2O14
IUPAC Name nitronium (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-5-fluoro-4-hydroxy-2-(hydroxymethyl)-6-[(z)-1-methyl-2-nitro-prop-1-enoxy]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 510.379 g·mol−1
Heat of Formation -1942.7 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 530.32 Å 3
Surface Area 438.97 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 2',4'-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
  • 2',4'-dinitrophenyl-2-deoxy-2-fluorocellobioside
  • 2',4'-dinitrophenyl-2deoxy-2-fluro-b-d-cellobioside
  • 2,4-dinitrophenyl-2-deoxy-2-fluoro-beta-d-cellobioside
  • beta-d-glucopyranoside, 2,4-dinitrophenyl 2-deoxy-2-fluoro-4-o-beta-d-glucopyranosyl-
  • ddfcb
CAS Number(s)
  • 154862-23-4
InChIKey WFVCNOHOODVBQK-IUBYCILNSA-N
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