Molecule ID: 6050

IUPAC Name: 2,3-di(butanoyloxy)propyl butanoate

Description: The molecule is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor, a protective agent, an apoptosis inducer, a prodrug and an antineoplastic agent. It is a triglyceride and a butyrate ester. It derives from a butyric acid.

SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC

SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch2][C][O][C][=Branch1][C][=O][C][C][C][O][C][=Branch1][C][=O][C][C][C]

InChI: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3

Molecular Properties:
- Polar Surface Area: 78.9 Ų
- LogP: 2.4