TL;DR: Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) (CAS 63919-18-6) is a chemical compound with molecular formula C12H13HgNa2O6 and molecular weight 501.0214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;(4,4-dicarboxylato-2-hydroxy-4-phenylbutyl)mercury;hydrate
Also Known As: Sodium salt of hydroxymercuripropanol phenyl malonic acid, MALONIC ACID, (2-HYDROXY-3-HYDROXYMERCURI)PROPYL(PHENYL)-, SODIUM SALT, Mercurate(2-), (4,4-dicarboxylato-2-hydroxy-4-phenylbutyl)hydroxy-, disodium, Disodium (4,4-dicarboxylato-2-hydroxy-4-phenylbutyl)hydroxidomercurate(2-), Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1)
| Molecular Formula | C12H13HgNa2O6 |
| Molecular Weight | 501.0214 g/mol |
| XLogP | -8.68 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.0214 Da |
| Heavy Atoms | 21 |
| Complexity | 288.0 |
| SMILES | C1=CC=C(C=C1)C(CC(C[Hg])O)(C(=O)[O-])C(=O)[O-].O.[Na+].[Na+] |
| InChIKey | SVKHSOVBAZGDMH-UHFFFAOYSA-L |
The XLogP value of -8.68 indicates that Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1). Following Lipinski's Rule of Five, Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) is 63919-18-6.
The molecular formula of Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) is C12H13HgNa2O6.
The molecular weight of Sodium 4,4-dicarboxylato-2-hydroxy-4-phenylbutyl--mercury--water (2/1/1/1) is 501.0214 g/mol.
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