Molecule ID: 6857362

IUPAC Name: (3R,4R,5S)-1,3,4,5-tetrahydroxyhexan-2-one

Description: The molecule is a a deoxyketohexose comprising L-tagatose with the hydroxy group at position 6 replaced by hydrogen. It has a role as a human metabolite and an Escherichia coli metabolite.

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

SELFIES: [C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][C][O]

InChI: InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: -2.2