Barium gluconate
TL;DR: Barium gluconate (CAS 22561-74-6) is a chemical compound with molecular formula C12H22BaO14 and molecular weight 528.0062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Also Known As: barium gluconate, Barium di-D-gluconate, Barium di(D-gluconate), D-Gluconic acid, barium salt, D-gluconic acid,barium compound
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22BaO14 |
| Molecular Weight | 528.0062 g/mol |
| XLogP | -10.04 |
| Topological Polar Surface Area (TPSA) | 283.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.0062 Da |
| Heavy Atoms | 27 |
| Complexity | 165.0 |
| SMILES | C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ba+2] |
| InChIKey | PECPTSUHUFWKDG-IYEMJOQQSA-L |
Chemical Property Profile of Barium gluconate
Property Insights of Barium gluconate
The XLogP value of -10.04 indicates that Barium gluconate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 283.0 Ų indicates high polarity, suggesting Barium gluconate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium gluconate has 10 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Barium gluconate?
The CAS number of Barium gluconate is 22561-74-6.
What is the molecular formula of Barium gluconate?
The molecular formula of Barium gluconate is C12H22BaO14.
What is the molecular weight of Barium gluconate?
The molecular weight of Barium gluconate is 528.0062 g/mol.
Where can I buy Barium gluconate?
You can request a quote for Barium gluconate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barium gluconate?
Yes, CoreyChem provides custom synthesis services for Barium gluconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.