Dapagliflozin

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Formula C21H25ClO6
IUPAC Name (2s,3r,4r,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 408.873 g·mol−1
Heat of Formation -1023.7 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 471.84 Å 3
Surface Area 402.72 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-(4-ethoxybenzyl)phenyl]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4r,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey JVHXJTBJCFBINQ-ADAARDCZSA-N
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Elements H C O Cl