TL;DR: Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) (CAS 108812-35-7) is a chemical compound with molecular formula C13H16N2O7PtS and molecular weight 539.0326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclopentane-1,2-diamine;hydron;platinum(2+);5-sulfonatobenzene-1,3-dicarboxylate
Also Known As: 1,3-Benzenedicarboxylic acid, 5-sulfo-, platinum complex, 1,3-Benzenedicarboxylic acid, 5-sulfo-, platinum complex (9CI), 1,3-Benzenedicarboxylic acid,5-sulfo-,platinum complex (9CI), cyclopentane-1,2-diamine;hydron;platinum(2+);5-sulfonatobenzene-1,3-dicarboxylate, Platinate(1-), (1,2-cyclopentanediamine-N, N')(5-sulfo-1,3-benzenedicarboxylato(3-)-O1)-, hydrogen
| Molecular Formula | C13H16N2O7PtS |
| Molecular Weight | 539.0326 g/mol |
| XLogP | -2.7474 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 539.0326 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | [H+].C1CC(C(C1)N)N.C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-].[Pt+2] |
| InChIKey | YHKHVSWLLPLAOV-UHFFFAOYSA-L |
The XLogP value of -2.7474 indicates that Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) is 108812-35-7.
The molecular formula of Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) is C13H16N2O7PtS.
The molecular weight of Platinum(2+) 5-sulfobenzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1) is 539.0326 g/mol.
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