Molecule ID: 53477624

IUPAC Name: 4-methyl-5-(2-phosphonatooxyethyl)-1,3-thiazole-2-carboxylate

Description: The molecule is the organophosphate oxoanion that is 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate protonated to pH 7.3 It is a conjugate base of a 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate.

SMILES: Cc1nc(C(=O)[O-])sc1CCOP(=O)([O-])[O-]

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

InChI: InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)/p-3

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: 0.2