Molecule ID: 21140178

IUPAC Name: (4S)-4,5-dihydroxy-2-oxopentanal

Description: The molecule is a ketoaldopentose and deoxypentose that is 2-oxopentanal that is substituted at positions 4 and 5 by hydroxy groups (the 4S) enantiomer). It is a 2-oxo aldehyde, a primary alcohol, a secondary alcohol, a glycol, a ketoaldopentose and a deoxypentose.

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

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

InChI: InChI=1S/C5H8O4/c6-2-4(8)1-5(9)3-7/h2,5,7,9H,1,3H2/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -1.8