Molecule ID: 51372725

IUPAC Name: 2,6-diacetyl-3,5-dihydroxyphenolate

Description: The molecule is a phenolate anion that is the conjugate base of 2,4-diacetylphloroglucinol, obtained by deprotonation of one of the two hydroxy groups at position 1 and 5. Major microspecies at pH 7.3. It has a role as an antifungal agent. It is a conjugate base of a 2,4-diacetylphloroglucinol.

SMILES: CC(=O)c1c([O-])cc(O)c(C(C)=O)c1O

SELFIES: [C][C][=Branch1][C][=O][C][=C][Branch1][C][O-1][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][O][O]

InChI: InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3/p-1

Molecular Properties:
- Polar Surface Area: 97.7 Ų
- LogP: 2.0