Empagliflozin

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Properties Simple | Detailed

Formula C23H27ClO7
IUPAC Name (2s,3r,4r,5s,6r)-2-[4-chloro-3-[[4-[(3s)-tetrahydrofuran-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 450.909 g·mol−1
Heat of Formation -1161.8 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 520.1 Å 3
Surface Area 436.44 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[4-[(3s)-tetrahydrofuran-3-yl]oxybenzyl]phenyl]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[[4-[(3s)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[[4-[(3s)-tetrahydrofuran-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[[4-[[(3s)-3-tetrahydrofuranyl]oxy]phenyl]methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey OBWASQILIWPZMG-QZMOQZSNSA-N
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