Remogliflozin Etabonate

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Formula C26H38N2O9
IUPAC Name ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methyl-pyrazol-1-ium-2-id-3-yl]oxy-tetrahydropyran-2-yl]methyl carbonate
Molecular Mass 522.588 g·mol−1
Heat of Formation -1519.8 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 630.92 Å 3
Surface Area 450.28 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 0.62 ± eV
Point Group Symmetry C1
Synonyms
  • carbonic acid ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(4-isopropoxybenzyl)-1-isopropyl-5-methyl-pyrazol-3-yl]oxy-tetrahydropyran-2-yl]methyl ester
  • carbonic acid ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[[4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methyl-3-pyrazolyl]oxy]-2-tetrahydropyranyl]methyl ester
  • ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-[(4-isopropoxyphenyl)methyl]-1-isopropyl-5-methyl-pyrazol-3-yl]oxy-tetrahydropyran-2-yl]methyl carbonate
  • ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxy-oxan-2-yl]methyl carbonate
  • ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
InChIKey UAOCLDQAQNNEAX-ABMICEGHSA-N
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