Molecule ID: 90657330

IUPAC Name: [(2R,3R)-2,3-dihydroxy-5-methylsulfanyl-4-oxopentyl] phosphate

Description: The molecule is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(methylthio)ribulose 5-phosphate; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 1-(methylthio)ribulose 5-phosphate.

SMILES: CSCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]

SELFIES: [C][S][C][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h4,6-7,9H,2-3H2,1H3,(H2,10,11,12)/p-2/t4-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 155.0 Ų
- LogP: -2.6