Molecule ID: 18171

IUPAC Name: diazanium;3-carboxy-3-hydroxypentanedioate

Description: The molecule is a citrate salt in which two of the three carboxy groups are deprotonated and associated with ammonium ions as counter-cations. It has a role as a buffer. It is an ammonium salt and a citrate salt.

SMILES: N.N.O=C(O)CC(O)(CC(=O)O)C(=O)O

SELFIES: [N].[N].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: nan