Molecule ID: 5460156

IUPAC Name: (5S,6S)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

Description: The molecule is a cyclic ketone comprising cyclohexen-2-one having hydroxy groups at the 2- and 6-positions and a hydroxymethyl group at the 5-position. It is a cyclic ketone and a secondary alpha-hydroxy ketone. It derives from a cyclohex-2-enone. It is a conjugate acid of a (4S,5S)-5-hydroxy-4-(hydroxymethyl)-6-oxocyclohex-1-en-1-olate.

SMILES: O=C1C(O)=CC[C@@H](CO)[C@@H]1O

SELFIES: [O][=C][C][Branch1][C][O][=C][C][C@@H1][Branch1][Ring1][C][O][C@@H1][Ring1][=Branch2][O]

InChI: InChI=1S/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2/t4-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 0.0