Molecule ID: 5460191

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

Description: The molecule is a ketoaldonic acid phosphate. It is a conjugate base of a 6-phospho-2-dehydro-D-gluconic acid. It is a conjugate acid of a 6-phospho-2-dehydro-D-gluconate(3-).

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

SELFIES: [O][=C][Branch1][C][O-1][C][=Branch1][C][=O][C@@H1][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/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)/p-1/t2-,3-,4+/m1/s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -3.3