Molecule ID: 126747

IUPAC Name: (6S,7R)-2,4-dihydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocan-7-ol

Description: The molecule is a tetritol phosphate. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a 2-C-methyl-D-erythritol 2,4-cyclic diphosphate(2-).

SMILES: C[C@@]1(CO)OP(=O)(O)OP(=O)(O)OC[C@H]1O

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

InChI: InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: -2.8