Molecule ID: 130470

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

Description: The molecule is a ketooctose derivative that is D-glycero-D-altro-octulose carrying two phosphate substituents at positions 1 and 8. It is a ketooctose derivative and a ketose phosphate.

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

SELFIES: [O][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][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/C8H18O14P2/c9-3(1-21-23(15,16)17)5(11)7(13)8(14)6(12)4(10)2-22-24(18,19)20/h3,5-9,11-14H,1-2H2,(H2,15,16,17)(H2,18,19,20)/t3-,5+,6+,7+,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 252.0 Ų
- LogP: -6.7