Molecule ID: 441200

IUPAC Name: (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one

Description: The molecule is a member of the class of cyclohexenones that is cyclohex-2-en-1-one substituted by hydroxy groups at positions 2, 4, 5 and 6 (the 4R,5S,6R-stereoisomer). It is a member of cyclohexenones, an enone and an enol. It derives from a cyclohex-2-enone. It is a conjugate acid of a (3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate. It is a tautomer of a 3D-3,5/4-trihydroxycyclohexane-1,2-dione.

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

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

InChI: InChI=1S/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4,6-9,11H/t2-,4+,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: -1.9