6372-42-5 Purity
98%
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Specification
The molecular formula is C10H17K3N2O10.
The molecular weight is 442.54 g/mol.
The IUPAC name is tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;dihydrate.
The InChI is InChI=1S/C10H16N2O8.3K.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;2*1H2/q;3*+1;;/p-3.
The InChIKey is MAPFUJCWRWFQIY-UHFFFAOYSA-K.
The canonical SMILES is C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].O.O.[K+].[K+].[K+].
The CAS number is 65501-24-8.
It has 3 hydrogen bond donor counts.
It has 12 hydrogen bond acceptor counts.