Molecule ID: 25244160

IUPAC Name: 2,3,5-trihydroxy-4-phosphonooxyhexanedioic acid

Description: The molecule is an alpha,omega-dicarboxylic acid and phosphate monoester that is adipic acid with a phosphate group at position 4 and hydroxy groups at positions 2, 3, and 5. It has a role as a metabolite. It is a triol, an alpha,omega-dicarboxylic acid and a phosphate monoester. It derives from an adipic acid.

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

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C6H11O11P/c7-1(2(8)5(10)11)4(3(9)6(12)13)17-18(14,15)16/h1-4,7-9H,(H,10,11)(H,12,13)(H2,14,15,16)

Molecular Properties:
- Polar Surface Area: 202.0 Ų
- LogP: -4.2