Cas no 142608-64-8 (Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI))

Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI) structure
142608-64-8 structure
Product Name:Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI)
CAS No:142608-64-8
MF:C26H45NO8S
MW:531.702407598495
CID:150842
PubChem ID:197467
Update Time:2025-04-19

Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI)
    • 2-[[(4R)-4-[(1R,3S,5S,7R,10S,13R,17R)-1,3,7,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
    • 2-{[(1beta,3alpha,5beta,7alpha,8xi,9xi,14xi)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
    • Tauro-1-hydroxycholic acid
    • Tauro-CA-1beta-ol
    • 142608-64-8
    • 1,3,7,14-Tetrahydroxy-N-(2-sulfoethyl)cholan-24-imidic acid
    • Tauro 1-hydroxycholic Acid
    • DTXSID60931543
    • Inchi： 1S/C26H45NO8S/c1-15(4-5-22(31)27-10-11-36(33,34)35)18-7-9-26(32)23-19(6-8-24(18,26)2)25(3)16(13-20(23)29)12-17(28)14-21(25)30/h15-21,23,28-30,32H,4-14H2,1-3H3,(H,27,31)(H,33,34,35)/t15-,16+,17+,18-,19?,20?,21-,23?,24-,25+,26?/m1/s1
    • InChI Key： ZZBPROOCQLCTDL-HOUTWHNLSA-N
    • SMILES： S(CCNC(CC[C@@H](C)[C@H]1CCC2(C3C(C[C@@H]4C[C@@H](C[C@H]([C@]4(C)C3CC[C@@]21C)O)O)O)O)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 531.287
  • Monoisotopic Mass: 531.287
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 939
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 173?2

Experimental Properties

  • Density: 1.331
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.587

Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI) Related Literature

142608-64-8 (Ethanesulfonic acid,2-[[(1b,3a,5b,7a)-1,3,7,14-tetrahydroxy-24-oxocholan-24-yl]amino]-(9CI)) Related Products

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