TL;DR: Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate (CAS 12389-15-0) is a chemical compound with molecular formula C12H26FeO16 and molecular weight 482.057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
iron(2+);bis(2,3,4,5,6-pentahydroxyhexanoate);dihydrate
Also Known As: Ferrous gluconate dihydrate, Ferrous gluconate dihydrate [USAN], ?(2)-iron(2+) digluconate dihydrate, iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate, Iron(2+) gluconate (1:2) dihydrate
| Molecular Formula | C12H26FeO16 |
| Molecular Weight | 482.057 g/mol |
| XLogP | -11.31 |
| Topological Polar Surface Area (TPSA) | 285.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.057 Da |
| Heavy Atoms | 29 |
| Complexity | 165.0 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.[Fe+2] |
| InChIKey | OKGNXSFAYMSVNN-UHFFFAOYSA-L |
The XLogP value of -11.31 indicates that Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 285.0 Ų indicates high polarity, suggesting Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate has 12 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate is 12389-15-0.
The molecular formula of Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate is C12H26FeO16.
The molecular weight of Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate is 482.057 g/mol.
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