Molecule ID: 5462148

IUPAC Name: [(Z)-2-hydroxy-5-methylsulfanyl-3-oxopent-1-enyl] dihydrogen phosphate

Description: The molecule is a hydroxyalkyl phosphate, an oxoalkyl phosphate, an aliphatic sulfide and a methyl sulfide. It is a conjugate acid of a 2-hydroxy-5-(methylsulfanyl)-3-oxopent-1-enyl phosphate(2-). It is a tautomer of a 5-(methylsulfanyl)-2,3-dioxopentyl phosphate.

SMILES: CSCCC(=O)/C(O)=C/OP(=O)(O)O

SELFIES: [C][S][C][C][C][=Branch1][C][=O][/C][Branch1][C][O][=C][/O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)/b6-4-

Molecular Properties:
- Polar Surface Area: 129.0 Ų
- LogP: -1.0