(2S,3R,4R,5S,6R)-2-{4-chloro-3-[hydroxy({4-[(3S)-oxolan-3-yloxy]phenyl})methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol, 98%, 98%

cas: 2137418-13-2 — see every product listed under this CAS number, including other names

(2S,3R,4R,5S,6R)-2-{4-chloro-3-[hydroxy({4-[(3S)-oxolan-3-yloxy]phenyl})methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol, 98%, 98% (CAS 2137418-13-2) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: Chemat.

• 2D
• 3D

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 2137418-13-2) is a chemical compound with the molecular formula C23H27ClO8 and a molecular weight of 466.9 g/mol. IUPAC name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: NYIOLMJQDSDGOO-FFDFUSRSSA-N.

Identity

Molecular formula	C23H27ClO8
Molecular weight	466.9 g/mol
IUPAC name	(2S,3R,4R,5S,6R)-2-[4-chloro-3-[hydroxy-[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey	NYIOLMJQDSDGOO-FFDFUSRSSA-N
SMILES	C1COC[C@H]1OC2=CC=C(C=C2)C(C3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl)O

Computed by PubChem (NCBI)

Synonyms: Hydroxy Empagliflozin, Empagliflozin Impurity 29, Empagliflozin Impurity 77

Isomers (same molecular formula)

(2R,3S,4R,5R)-1-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-2,3,4,5,6-pentahydroxyhexan-1-one C₂₃H₂₇ClO₈

(2S,3R,4S,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol C₂₃H₂₇ClO₈