TL;DR: Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) (CAS 13443-58-8) is a chemical compound with molecular formula C8H4BaO12Sb2 and molecular weight 671.68317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(antimony(3+));barium(2+);bis(2,3-dioxidobutanedioate)
Also Known As: Antimony barium tartrate, antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2), Antimonate(1-), oxo(tartrato)-, barium, antimony(3+);barium(2+);2,3-dioxidobutanedioate, antimony(3+); barium(2+); 2,3-dioxidobutanedioate
| Molecular Formula | C8H4BaO12Sb2 |
| Molecular Weight | 671.68317 g/mol |
| XLogP | -13.2544 |
| Topological Polar Surface Area (TPSA) | 253.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 671.68317 Da |
| Heavy Atoms | 23 |
| Complexity | 123.0 |
| SMILES | C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Sb+3].[Sb+3].[Ba+2] |
| InChIKey | CAYWJHDPQVVUFD-UHFFFAOYSA-J |
The XLogP value of -13.2544 indicates that Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) is 13443-58-8.
The molecular formula of Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) is C8H4BaO12Sb2.
The molecular weight of Antimony(3+) barium 2,3-dioxidobutanedioate(2:1:2) is 671.68317 g/mol.
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