Molecule ID: 91825626

IUPAC Name: 4-hydroxy-6-(16-hydroxy-2-oxohexadecyl)pyran-2-one

Description: The molecule is an acyl tetraketide pyran-2-one that is 4-hydroxy-2H-pyran-2-one in which the hydrogen at position 6 is replaced by a 16-hydroxy-2-oxohexadecyl group. It is a 6-(acylmethyl)-4-hydroxy-2H-pyran-2-one and a primary alcohol.

SMILES: O=C(CCCCCCCCCCCCCCO)Cc1cc(O)cc(=O)o1

SELFIES: [O][=C][Branch1][S][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2]

InChI: InChI=1S/C21H34O5/c22-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18(23)15-20-16-19(24)17-21(25)26-20/h16-17,22,24H,1-15H2

Molecular Properties:
- Polar Surface Area: 83.8 Ų
- LogP: 5.0