Sodium Taurocholate

• Synonyms: N-Choloyltaurine sodium salt
• IUPAC Name: Sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
• Molecular Weight: 537.68
• Molecular Formula: C26H44NNaO7S
• SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
• InChI: InChI=1S/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;/m1./s1
• InChI Key: JAJWGJBVLPIOOH-IZYKLYLVSA-M
• Melting Point: 230 °C
• Flash Point: 9 °C
• Purity: 95%+
• Density: 1.177 g/cm³ at 22.5 °C
• Solubility: Soluble in cold water
• Appearance: Powder
• Storage: -20 °C
• Exact Mass: 537.27361820
• Physical State: Freezer
• pKa: 1.9
• Refractive Index: 23 ° (C=3, H₂O)
• Stability: Stable under normal temperatures and pressures.
• Subcategory: Cholesterols