TL;DR: Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- (CAS 123121-18-6) is a chemical compound with molecular formula C13H23N2Na2O7PPt and molecular weight 591.0686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;cyclohexane-1,2-diamine;2-phosphonatoheptanedioate;platinum(2+)
Also Known As: Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))-, Platinum(2+) sodium 2-phosphonatoheptanedioate--cyclohexane-1,2-diamine (1/2/1/1), disodium; cyclohexane-1,2-diamine; 2-phosphonatoheptanedioate; platinum(2+), Disodium; Cyclohexane-1,2-diamine; 2-phosphonatoheptanedioate; Platinum(+2) Cation
| Molecular Formula | C13H23N2Na2O7PPt |
| Molecular Weight | 591.0686 g/mol |
| XLogP | -9.4506 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 591.0686 Da |
| Heavy Atoms | 26 |
| Complexity | 321.0 |
| SMILES | C1CCC(C(C1)N)N.C(CCC(=O)[O-])CC(C(=O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Pt+2] |
| InChIKey | BUDGGXVYKZTMHJ-UHFFFAOYSA-J |
The XLogP value of -9.4506 indicates that Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- is 123121-18-6.
The molecular formula of Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- is C13H23N2Na2O7PPt.
The molecular weight of Platinate(2-), (1,2-cyclohexanediamine-N,N')(2-phosphonoheptanedioato(4-)-O(sup 1), O(sup 2))-, disodium, (SP-4-3-(1R-trans))- is 591.0686 g/mol.
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