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Home > Encyclopedia > 2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid

2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid

2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid structure

2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid 

structure
  • CAS No:

    75808-01-4

  • Formula:

    C26H43NO6S

  • Chemical Name:

    2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid

  • Synonyms:

    Ethanesulfonic acid,2-[[(3α,5β)-3-hydroxy-7,24-dioxocholan-24-yl]amino]-;2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid;3α-Hydroxy-7-oxocholanoyltaurine;7-Ketolithocholic acid-taurine conjugate;7-Oxolithocholic acid-taurine conjugate;118860-28-9

2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid Basic Attributes

497.7 g/mol

497.69

Characteristics

129 Ų

Drug Information

3 alpha-hydroxy-7-keto-5 beta-cholanoyltaurine

Computed Properties

Molecular Weight:497.7
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:497.28110926
Monoisotopic Mass:497.28110926
Topological Polar Surface Area:129
Heavy Atom Count:34
Complexity:900
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 2-[[(3α,5β)-3-Hydroxy-7,24-dioxocholan-24-yl]amino]ethanesulfonic acid

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