1,5-Anhydro-1,1-Difluoro-D-Glucitol

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Properties Simple | Detailed

Formula C6H10F2O5
IUPAC Name (3r,4s,5s,6r)-2,2-difluoro-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 200.137 g·mol−1
Heat of Formation -1388.0 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 200.63 Å 3
Surface Area 189.16 Å 2
HOMO Energy -10.86 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6r)-2,2-difluoro-6-(hydroxymethyl)oxane-3,4,5-triol
  • (3r,4s,5s,6r)-2,2-difluoro-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (3r,4s,5s,6r)-2,2-difluoro-6-methylol-tetrahydropyran-3,4,5-triol
  • 1-fluoroglucopyranosyl fluoride
CAS Number(s)
  • 138079-73-9
InChIKey ABHUQGCQAICAGN-SQOUGZDYSA-N
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