Molecule ID: 131801218

IUPAC Name: (3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoate

Description: The molecule is a 3-hydroxydecanoyl-3-hydroxydecanoate resulting from the deprotonation of the carboxy group of (R,R)-3-(3-hydroxydecanoyloxy)decanoic acid. The major species at pH 7.3. It is a conjugate base of a (R,R)-3-(3-hydroxydecanoyloxy)decanoic acid.

SMILES: CCCCCCC[C@@H](O)CC(=O)O[C@H](CCCCCCC)CC(=O)[O-]

SELFIES: [C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C@H1][Branch1][Branch2][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H38O5/c1-3-5-7-9-11-13-17(21)15-20(24)25-18(16-19(22)23)14-12-10-8-6-4-2/h17-18,21H,3-16H2,1-2H3,(H,22,23)/p-1/t17-,18-/m1/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 6.5