360449

Sodium glycocholate hydrate

97%

• Synonym(s): 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide sodium salt, Glycocholic acid sodium salt hydrate, N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)glycine sodium salt, N-Cholylglycine sodium salt
• Linear Formula: C₂₆H₄₂NO₆Na · xH₂O
• CAS Number: 338950-81-5
• Molecular Weight: 487.60 (anhydrous basis)
• Beilstein/REAXYS Number: 3854517
• EC Number: 212-730-9
• MDL number: MFCD09037360
• UNSPSC Code: 12161900

Properties

• assay: 97%
• optical activity: [α]20/D +30°, c = 1 in H₂O
• mol wt: micellar avg mol wt 900(lit.)
• aggregation number: 1.9
• CMC: 13 mM (20-25°C)(lit.)
• mp: 210-215 °C (subl.) (lit.)
• SMILES string: [Na+].[H]O[H].[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC([O-])=O
• InChI: 1S/C26H43NO6.Na.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);;1H2/q;+1;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;/m1../s1
• InChI key: YWROUPFMHKARON-HJRQWJHVSA-M

Safety Information

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)