TL;DR: Hexakis(urea-O)aluminium(3+) triiodide sulphate (CAS 15304-14-0) is a chemical compound with molecular formula C6H32AlI3N12O10S+8 and molecular weight 871.9035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aluminum;hexakis(diaminomethylideneoxidanium);sulfuric acid;triiodide
Also Known As: Aluminum hexaurea sulfate triiodide, EINECS 239-340-1, Hexakis(urea-O)aluminium(3+) triiodide sulphate
| Molecular Formula | C6H32AlI3N12O10S+8 |
| Molecular Weight | 871.9035 g/mol |
| XLogP | -12.076 |
| Topological Polar Surface Area (TPSA) | 401.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 871.9035 Da |
| Heavy Atoms | 33 |
| Complexity | 355.0 |
| SMILES | C(=[OH+])(N)N.C(=[OH+])(N)N.C(=[OH+])(N)N.C(=[OH+])(N)N.C(=[OH+])(N)N.C(=[OH+])(N)N.OS(=O)(=O)O.[Al+3].I[I-]I |
| InChIKey | OLNAZPIEEHGEEJ-UHFFFAOYSA-T |
The XLogP value of -12.076 indicates that Hexakis(urea-O)aluminium(3+) triiodide sulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 401.0 Ų indicates high polarity, suggesting Hexakis(urea-O)aluminium(3+) triiodide sulphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexakis(urea-O)aluminium(3+) triiodide sulphate has 20 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hexakis(urea-O)aluminium(3+) triiodide sulphate is 15304-14-0.
The molecular formula of Hexakis(urea-O)aluminium(3+) triiodide sulphate is C6H32AlI3N12O10S+8.
The molecular weight of Hexakis(urea-O)aluminium(3+) triiodide sulphate is 871.9035 g/mol.
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