6-O-Benzoyl-3-Deoxy-3-Fluoro-1,2-O-Isopropylidene-α-D-Glucofuranose

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Properties Simple | Detailed

Formula C16H19FO6
IUPAC Name [(2r)-2-[(3ar,5r,6s,6as)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] benzoate
Molecular Mass 326.317 g·mol−1
Heat of Formation -1205.1 ± 16.7 kJ·mol−1
Dipole Moment 1.40 ± 1.08 D
Volume 365.59 Å 3
Surface Area 330.38 Å 2
HOMO Energy -10.23 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 3-deoxy-3-fluoro-1,2-o-(isopropylidene)-alpha-d-glucofuranose-6-benzoate
  • [(2r)-2-[(3ar,5r,6s,6as)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] benzoate
  • [(2r)-2-[(3ar,5r,6s,6as)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxyethyl] benzoate
  • alpha-d-glucofuranose, 3-deoxy-3-fluoro-1,2-o-(1-methylethylidene)-, 6-benzoate
  • benzoic acid [(2r)-2-[(3ar,5r,6s,6as)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] ester
  • benzoic acid [(2r)-2-[(3ar,5r,6s,6as)-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]-2-hydroxyethyl] ester
CAS Number(s)
  • 56632-74-7
InChIKey KWTCJBZBPXSFRW-WPLOAARJSA-N
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