Molecule ID: 5459952

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

Description: The molecule is a D-tagatose 6-phosphate that is in the open-chain keto-form. It derives from a keto-D-tagatose. It is a conjugate acid of a keto-D-tagatose 6-phosphate(2-). It is an enantiomer of a keto-L-tagatose 6-phosphate.

SMILES: O=C(CO)[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][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/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: -4.3