Products 31050-47-2

CAS 31050-47-2 appears in our catalog under these names: Bisacodyl Impurity 4 (Bisacodyl Desacetyl β-D-Glucuronide), Desacetyl Bisacodyl b-D-Glucuronide, >95% (HPLC), Desacetyl Bisacodyl Beta-D-Glucuronide, >95% (HPLC), Desacetyl bisacodyl β-D-glucuronide. Offered by: Hubei YoungXin, TRC, Biosynth. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg.

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

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]oxane-2-carboxylic acid (CAS 31050-47-2) is a chemical compound with the molecular formula C24H23NO8 and a molecular weight of 453.4 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]oxane-2-carboxylic acid. InChIKey: RRVPDCNRRXUDQK-JZOWGYKDSA-N.

Identity
Molecular formulaC24H23NO8
Molecular weight453.4 g/mol
IUPAC name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]oxane-2-carboxylic acid
InChIKeyRRVPDCNRRXUDQK-JZOWGYKDSA-N
SMILESC1=CC=NC(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

Computed by PubChem (NCBI)