TAUROCHOLIC ACID

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]ethanesulfonic acid

CAS: 81-24-3

Molecular Formula	`C26H45NO7S`
Molecular Weight	515.7 g/mol
LogP	2.2
Topological Polar Surface Area	153.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	515.2917
Heavy Atoms	35
Complexity	891.0

Chemical Identifiers

CAS Number	81-24-3
SMILES	`CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C`
InChIKey	`WBWWGRHZICKQGZ-HZAMXZRMSA-N`

📖 Product Overview

TAUROCHOLIC ACID (CAS: 81-24-3) is a chemical compound with molecular formula C26H45NO7S and molecular weight 515.7 g/mol. Its IUPAC systematic name is 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]ethanesulfonic acid. LogP 2.2 Topological Polar Surface Area 153.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 515.2917 Heavy Atoms 35 Complexity 891.0 InChI Key: WBWWGRHZICKQGZ-HZAMXZRMSA-N. SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.

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