Sergliflozin Etabonate

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Properties Simple | Detailed

Formula C23H28O9
IUPAC Name ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]tetrahydropyran-2-yl]methyl carbonate
Molecular Mass 448.463 g·mol−1
Heat of Formation -1433.3 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 535.91 Å 3
Surface Area 393.66 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • carbonic acid ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-(4-methoxybenzyl)phenoxy]tetrahydropyran-2-yl]methyl ester
  • carbonic acid ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]-2-tetrahydropyranyl]methyl ester
  • d06641
  • ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
  • ethyl [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]tetrahydropyran-2-yl]methyl carbonate
  • sergliflozin
  • sergliflozin (usan)
CAS Number(s)
  • 408504-26-7
InChIKey QLXKHBNJTPICNF-QMCAAQAGSA-N
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