Auranofin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 252
Total Number of Articles : 312
PubChem 138402869
Molecular Formula

C20H35AuO9PS

SMILES

CC[PH+](CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au]

InChI

InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/t10-,11-,12+,13-,14+;;/m1../s1

synonyms
  • AURANOFIN
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Properties
Property Value
MW 679.5 g/mol
HBD 0
HBA 10
Rotatable Bond Count 12
Exact Mass 679.140511 g/mol
Monoisotopic Mass 679.140511 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 3
Complexity 532
xlogp None
Topological Polar Surface Area 115