Molecule ID: 5459942

IUPAC Name: [(2R,3R,4R,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate

Description: The molecule is an allose phosphate consisting of D-allose having a monophosphate group at the 6-position. It has a role as an Escherichia coli metabolite. It derives from a D-allose. It is a conjugate acid of a D-allose 6-phosphate(2-).

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

SELFIES: [O][=C][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/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: -4.5