Ertugliflozin

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Formula C22H25ClO7
IUPAC Name (1s,2s,3s,4r,5s)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Molecular Mass 436.883 g·mol−1
Heat of Formation -1117.8 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 488.61 Å 3
Surface Area 415.53 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
InChIKey MCIACXAZCBVDEE-CUUWFGFTSA-N
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Elements H C O Cl