Products 139427-57-9

CAS 139427-57-9 appears in our catalog under these names: Cotinine N-Beta-D-Glucuronide, >95% (HPLC), Cotinine b-D-glucuronide, Cotinine N-β-D-Glucuronide, 96.64%. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 1 mg.

Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate (CAS 139427-57-9) is a chemical compound with the molecular formula C16H20N2O7 and a molecular weight of 352.34 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate. InChIKey: XWZCZWKUGIQPJD-LKUTUIMVSA-N.

Identity
Molecular formulaC16H20N2O7
Molecular weight352.34 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
InChIKeyXWZCZWKUGIQPJD-LKUTUIMVSA-N
SMILESCN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O

Computed by PubChem (NCBI)