Molecule ID: 11954078

IUPAC Name: (2S,4R,5S)-2,4,5-trihydroxy-3-oxo-6-phosphonooxyhexanoic acid

Description: The molecule is a ketoaldonic acid derivative that is the 6-(dihydrogen phosphate) derivative of 3-dehydro-L-gulonic acid. It has a role as an Escherichia coli metabolite. It derives from a 3-dehydro-L-gulonic acid. It is a conjugate acid of a 3-dehydro-L-gulonate 6-phosphate.

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

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

InChI: InChI=1S/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3+,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 182.0 Ų
- LogP: -3.9