Molecule ID: 90657269

IUPAC Name: [(2R,3R,4R,5R,6S)-2,3,4,5,6,8-hexahydroxy-7-oxooctyl] dihydrogen phosphate

Description: The molecule is a ketooctose derivative that is D-glycero-D-altro-octulose carrying a single phosphate substituent at position 8. It has a role as a mouse metabolite. It is a ketooctose derivative and a ketose phosphate.

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

SELFIES: [O][=C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][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/C8H17O11P/c9-1-3(10)5(12)7(14)8(15)6(13)4(11)2-19-20(16,17)18/h4-9,11-15H,1-2H2,(H2,16,17,18)/t4-,5-,6-,7+,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 205.0 Ų
- LogP: -5.6