Molecule ID: 132282123

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

Description: The molecule is a hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#12, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an oscr#12.

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

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

InChI: InChI=1S/C12H22O6/c1-8-9(13)7-10(14)12(18-8)17-6-4-2-3-5-11(15)16/h8-10,12-14H,2-7H2,1H3,(H,15,16)/p-1/t8-,9+,10+,12+/m0/s1

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 0.6