Molecule ID: 121225551

IUPAC Name: (5R)-2,3,5-trihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one

Description: The molecule is a member of the class of cyclohexenones that is 5-(hydroxymethyl)cyclohex-2-en-1-one carrying three additional hydroxy substituents at positions 2, 3 and 5. It is a member of cyclohexenones, an enone and a tetrol. It is a conjugate acid of a (R)-demethyl-4-deoxygadusol(1-). It derives from a hydride of an alicyclic compound.

SMILES: O=C1C[C@@](O)(CO)CC(O)=C1O

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

InChI: InChI=1S/C7H10O5/c8-3-7(12)1-4(9)6(11)5(10)2-7/h8-9,11-12H,1-3H2/t7-/m1/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: -1.7