Molecule ID: 114839

IUPAC Name: (4S,5R)-4,5,6-trihydroxy-2-oxohexanal

Description: The molecule is a deoxyketohexose comprising the open-chain form of D-glucose lacking the -OH group at the 3-position and having the keto group at the 2-position. It is a deoxyketohexose and a deoxyglucose.

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

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

InChI: InChI=1S/C6H10O5/c7-2-4(9)1-5(10)6(11)3-8/h2,5-6,8,10-11H,1,3H2/t5-,6+/m0/s1

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: -2.4