Ipragliflozin

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Formula C21H21FO5S
IUPAC Name (2s,3r,4r,5s,6r)-2-[3-(benzothiophen-2-ylmethyl)-4-fluoro-phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 404.452 g·mol−1
Heat of Formation -885.5 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 454.75 Å 3
Surface Area 389.28 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluoro-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[3-(2-benzothiophenylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[3-(benzothiophen-2-ylmethyl)-4-fluoro-phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[3-(benzothiophen-2-ylmethyl)-4-fluoro-phenyl]-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey AHFWIQIYAXSLBA-RQXATKFSSA-N
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