TL;DR: Einecs 246-217-6 (CAS 24390-15-6) is a chemical compound with molecular formula C12H22FeO13+3 and molecular weight 430.041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexane-1,2,3,4,5,6-hexol;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
Also Known As: D-Glucitol, compound with iron(3+) citrate, IRON-SORBITOL CITRIC ACID COMPLEX, D-Glucitol, compd. with 2-hydroxy-1,2,3-propanetricarboxylic acid iron(3) salt (1:1), hexane-1,2,3,4,5,6-hexol; 2-hydroxypropane-1,2,3-tricarboxylic acid; iron(3+), EINECS 246-217-6
| Molecular Formula | C12H22FeO13+3 |
| Molecular Weight | 430.041 g/mol |
| XLogP | -4.84 |
| Topological Polar Surface Area (TPSA) | 254.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 430.041 Da |
| Heavy Atoms | 26 |
| Complexity | 332.0 |
| SMILES | C(C(C(C(C(CO)O)O)O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Fe+3] |
| InChIKey | WNDUPUMWHYAJOR-UHFFFAOYSA-N |
The XLogP value of -4.84 indicates that Einecs 246-217-6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting Einecs 246-217-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 246-217-6 has 10 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Einecs 246-217-6 is 24390-15-6.
The molecular formula of Einecs 246-217-6 is C12H22FeO13+3.
The molecular weight of Einecs 246-217-6 is 430.041 g/mol.
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