Molecule ID: 71627201

IUPAC Name: 2-azaniumyl-3-(4-phosphonatooxyphenyl)propanoate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups as well as protonation of the amino group of O(4)-phosphotyrosine It is a conjugate base of an O(4)-phosphotyrosine.

SMILES: NC(Cc1ccc(OP(=O)([O-])O)cc1)C(=O)[O-]

SELFIES: [N][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][=C][Ring1][O][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/p-2

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: -2.6