Ursodeoxycholic Acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 387
Total Number of Articles : 481
PubChem 31401
Molecular Formula

C24H40O4

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

synonyms
  • URSODEOXYCHOLIC ACID
  • ursodiol
  • 128-13-2
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Properties
Property Value
MW 392.6 g/mol
HBD 3
HBA 4
Rotatable Bond Count 4
Exact Mass 392.29265975 g/mol
Monoisotopic Mass 392.29265975 g/mol
Heavy Atom Count 28
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 605
xlogp 4.9
Topological Polar Surface Area 77.8