Molecule ID: 132282135

IUPAC Name: 10-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate

Description: The molecule is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#16, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#16.

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

SELFIES: [C][C@@H1][O][C@@H1][Branch1][S][O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][C@H1][Branch1][C][O][C][C@H1][Ring2][Ring1][Ring2][O]

InChI: InChI=1S/C16H30O6/c1-12-13(17)11-14(18)16(22-12)21-10-8-6-4-2-3-5-7-9-15(19)20/h12-14,16-18H,2-11H2,1H3,(H,19,20)/p-1/t12-,13+,14+,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 2.8