CAS 1528739-05-0 appears in our catalog under these names: Ertugliflozin Impurity 4, L-threo-L-ido-undeodialdo-1,5:11,7-dipyranoside,1,11-Dimethyl 1,11-bis-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-7-C-formyl-,(5E,6E,7E,11S). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.
(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde (CAS 1528739-05-0) is a chemical compound with the molecular formula C44H50Cl2O14 and a molecular weight of 873.8 g/mol. IUPAC name: (3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde. InChIKey: IZXODWWEKGYWBW-CYFXULJASA-N.
| Molecular formula | C44H50Cl2O14 |
|---|---|
| Molecular weight | 873.8 g/mol |
| IUPAC name | (3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-2-[[(3S,4S,5R,6S)-6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-3,4,5-trihydroxy-6-methoxyoxan-2-yl]-hydroxymethyl]-3,4,5-trihydroxy-6-methoxyoxane-2-carbaldehyde |
| InChIKey | IZXODWWEKGYWBW-CYFXULJASA-N |
| SMILES | CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H](C(O3)C(C4([C@H]([C@@H]([C@H]([C@@](O4)(C5=CC(=C(C=C5)Cl)CC6=CC=C(C=C6)OCC)OC)O)O)O)C=O)O)O)O)O)OC)Cl |
Computed by PubChem (NCBI)