Molecule ID: 56927674

IUPAC Name: nan

Description: The molecule is a D-gluconate adduct of indefinite composition containing between 30 and 34% of antimony(V), calculated with reference to dried and methanol-free substance. It is used as a treatment for leishmaniasis. It has a role as an antineoplastic agent and an antileishmanial agent.

SMILES: O.O.O.O.O.O.O.O.O.O.O=C([O-])[C@H]([O-])[C@@H]([O-])[C@H]([O-])[C@H](O)CO.O=C([O-])[C@H]([O-])[C@@H]([O-])[C@H]([O-])[C@H](O)CO.[Na+].[Na+].[Na+].[OH-].[O].[Sb+3].[Sb+3]

SELFIES: [O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][=C][Branch1][C][O-1][C@H1][Branch1][C][O-1][C@@H1][Branch1][C][O-1][C@H1][Branch1][C][O-1][C@H1][Branch1][C][O][C][O].[O][=C][Branch1][C][O-1][C@H1][Branch1][C][O-1][C@@H1][Branch1][C][O-1][C@H1][Branch1][C][O-1][C@H1][Branch1][C][O][C][O].[Na+1].[Na+1].[Na+1].[OH1-1].[OH0].[Sb+3].[Sb+3]

InChI: InChI=1S/2C6H9O7.3Na.11H2O.O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;11*1H2;;;/q2*-3;3*+1;;;;;;;;;;;;;2*+3/p-3/t2*2-,3-,4+,5-;;;;;;;;;;;;;;;;;/m11................./s1

Molecular Properties:
- Polar Surface Area: 237.0 Ų
- LogP: nan