Molecule ID: 3080745

IUPAC Name: (4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid

Description: The molecule is the 5-phospho derivative of 2-dehydro-D-gluconic acid. It has a role as an Escherichia coli metabolite. It derives from a 2-dehydro-D-gluconic acid. It is a conjugate acid of a 2-dehydro-3-deoxy-6-phosphonato-D-gluconate(3-).

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

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

InChI: InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 162.0 Ų
- LogP: -3.4