Molecule ID: 132282115

IUPAC Name: 5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxopentanoic acid

Description: The molecule is an omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxy-3-oxopentanoic acid with ascarylopyranose (the alpha anomer). It is an omega-hydroxy fatty acid ascaroside and a 3-oxo monocarboxylic acid. It is a conjugate acid of a bkos#9(1-).

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

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

InChI: InChI=1S/C11H18O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6,8-9,11,13-14H,2-5H2,1H3,(H,15,16)/t6-,8+,9+,11+/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -1.2