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

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Properties Simple | Detailed

Formula C12H13FN2O9
IUPAC Name (2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)tetrahydropyran-3,4-diol
Molecular Mass 348.238 g·mol−1
Heat of Formation -1021.7 ± 16.7 kJ·mol−1
Dipole Moment 6.76 ± 1.08 D
Volume 353.81 Å 3
Surface Area 312.99 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-2-(hydroxymethyl)tetrahydropyran-3,4-diol
  • (2r,3s,4s,5r,6s)-6-(2,4-dinitrophenoxy)-5-fluoro-2-methylol-tetrahydropyran-3,4-diol
  • 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-d-allopyranoside
  • nfg
InChIKey UFSBFVZQJZMIOU-LZQZFOIKSA-N
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