β-D-Glucopyranosyl-(1->4)-β-D-Glucopyranosyl-(1->4)-2-Deoxy-2-Fluoro-Alpha-D-Glucopyranose

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Properties Simple | Detailed

Formula C18H31FO15
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 506.428 g·mol−1
Heat of Formation -2992.6 ± 16.7 kJ·mol−1
Dipole Moment 4.91 ± 1.08 D
Volume 545.05 Å 3
Surface Area 436.5 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-6-[[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey BZNXZJAUEMJQJB-QSCMNUSVSA-N
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