Molecule ID: 10583108

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

Description: The molecule is a tetrahydroxycyclohexanone that is cyclohexanone having four hydroxy groups located at positions 2, 3, 4 and 5 (the 2S,3R,4S,5R-diastereomer). It derives from a scyllo-inositol.

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

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

InChI: InChI=1S/C6H10O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4-7,9-11H,1H2/t2-,4+,5-,6-/m1/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: -2.7