Molecule ID: 57339259

IUPAC Name: disodium;2-[2-[bis(carboxylatomethyl)azaniumyl]ethyl-(carboxylatomethyl)azaniumyl]acetate;dihydrate

Description: The molecule is a hydrate that is the dihydrate form of EDTA disodium salt. It has a role as a chelator and an anticoagulant. It contains an EDTA disodium salt (anhydrous).

SMILES: O.O.O=C([O-])CN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-].[Na+].[Na+]

SELFIES: [O].[O].[O][=C][Branch1][C][O-1][C][N][Branch2][Ring1][C][C][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O-1].[Na+1].[Na+1]

InChI: InChI=1S/C10H16N2O8.2Na.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;2*+1;;/p-2

Molecular Properties:
- Polar Surface Area: 171.0 Ų
- LogP: nan