Molecule ID: 5362585

IUPAC Name: 2,3-dihydroxypropyl docosanoate

Description: The molecule is a fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid. It has a role as a plant metabolite and an antineoplastic agent. It is a 1-monoglyceride and a fatty acid ester. It derives from a glycerol and a docosanoic acid.

SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O]

InChI: InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 9.6