Cas no 1192657-83-2 (Glycocholic acid hydrate)

Glycocholic acid hydrate structure
Glycocholic acid hydrate structure
Product Name:Glycocholic acid hydrate
CAS No:1192657-83-2
MF:C26H45NO7
MW:483.638008832932
MDL:MFCD06408004
CID:4457081
PubChem ID:24895107
Update Time:2025-04-24

Glycocholic acid hydrate Chemical and Physical Properties

Names and Identifiers

    • Glycocholic acid hydrate
    • 3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide
    • Cholylglycine
    • N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine
    • N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine hydrate (1:?)
    • N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine hydrate (1:)
    • Glycocholic acid hydrate synthetic
    • Ursodeoxycholic Impurity 18
    • Urosodeoxycholic Acid Impurity 18
    • MLS001304001
    • SMR000718746
    • 1192657-83-2
    • CHEMBL1434128
    • DTXSID10647723
    • NS00073950
    • Glycocholic acid hydrate, synthetic, >=97% (HPLC)
    • SCHEMBL60638
    • CHEBI:182120
    • Glycocholic acid (hydrate)
    • MFCD06408004
    • F82449
    • 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]acetic acid;hydrate
    • AKOS025310113
    • HMS2230A24
    • SXB65783
    • MDL: MFCD06408004
    • Inchi: 1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
    • InChI Key: WDKPRHOCWKLQPK-ZUHYDKSRSA-N
    • SMILES: O[C@H]1C[C@@H]2[C@@]3(C)CC[C@H](C[C@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(NCC(=O)O)=O)[C@]21C)O)O.O

Computed Properties

  • Exact Mass: 483.31960277g/mol
  • Monoisotopic Mass: 483.31960277g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 759
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 128?2

Experimental Properties

  • Color/Form: No data available
  • Density: Not available
  • Melting Point: >126°C (dec.)
  • Boiling Point: Not available
  • Flash Point: Not available
  • Vapor Pressure: Not available

Glycocholic acid hydrate Pricemore >>

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