Molecule ID: 46931097

IUPAC Name: [(2R,3R,4R)-2-formyl-2,3,4,5-tetrahydroxypentyl] phosphate

Description: The molecule is dianion of D-hamamelose 2(1)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is a conjugate base of a D-hamamelose 2(1)-(dihydrogen phosphate).

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

SELFIES: [O][=C][C@@][Branch1][C][O][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C6H13O9P/c7-1-4(9)5(10)6(11,2-8)3-15-16(12,13)14/h2,4-5,7,9-11H,1,3H2,(H2,12,13,14)/p-2/t4-,5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 170.0 Ų
- LogP: -4.9