Molecule ID: 46878472

IUPAC Name: (5E)-4-methyl-5-(2-phosphonatooxyethylidene)-2H-1,3-thiazole-2-carboxylate

Description: The molecule is trianion of 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole arising from deprotonation of carboxylic acid and phosphate functions. It is a conjugate base of a 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole.

SMILES: CC1=NC(C(=O)[O-])S/C1=C/COP(=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/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/p-3/b5-2+

Molecular Properties:
- Polar Surface Area: 150.0 Ų
- LogP: -0.7