Molecule ID: 21608483

IUPAC Name: [(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] phosphate

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-C-methyl-D-erythritol 4-phosphate; major species at pH 7.3. It is a conjugate base of a 2-C-methyl-D-erythritol 4-(dihydrogen phosphate).

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

SELFIES: [C][C@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1]

InChI: InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/p-2/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -3.5