TL;DR: Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) (CAS 23255-03-0) is a chemical compound with molecular formula C7H11NNa2O6 and molecular weight 251.03818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[carboxylatomethyl(carboxymethyl)amino]acetate;methane
Also Known As: NTA disodium salt, monohydrate, Disodium nitrilotriacetic acid monohydrate, Nitrolotriacetic acid disodium salt monohydrate, Disodium hydrogen nitrilotriacetate, monohydrate, Nitrilotriacetic acid, disodium salt, monohydrate
| Molecular Formula | C7H11NNa2O6 |
| Molecular Weight | 251.03818 g/mol |
| XLogP | -9.48 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.03818 Da |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
| SMILES | C.C(C(=O)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+] |
| InChIKey | ZVZVLOLSWZXBMZ-UHFFFAOYSA-L |
The XLogP value of -9.48 indicates that Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1). Following Lipinski's Rule of Five, Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) is 23255-03-0.
The molecular formula of Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) is C7H11NNa2O6.
The molecular weight of Sodium [(carboxylatomethyl)(carboxymethyl)amino]acetate--methane (2/1/1) is 251.03818 g/mol.
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