Sulfoglycolithocholic acid

2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

CAS: 64936-82-9

Molecular Formula	`C26H43NO7S`
Molecular Weight	513.7 g/mol
LogP	5.2
Topological Polar Surface Area	138.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	513.276
Heavy Atoms	35
Complexity	917.0

Chemical Identifiers

CAS Number	64936-82-9
SMILES	`CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C`
InChIKey	`FHXBAFXQVZOILS-OETIFKLTSA-N`

📖 Product Overview

Sulfoglycolithocholic acid (CAS: 64936-82-9) is a chemical compound with molecular formula C26H43NO7S and molecular weight 513.7 g/mol. Its IUPAC systematic name is 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid. LogP 5.2 Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 8 Exact Mass 513.276 Heavy Atoms 35 Complexity 917.0 InChI Key: FHXBAFXQVZOILS-OETIFKLTSA-N. SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C.

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