Molecule ID: 9547170

IUPAC Name: (2-decanoyloxy-3-phosphonooxypropyl) decanoate

Description: The molecule is a phosphatidic acid in which both of the phosphatidyl acyl groups are specified as decanoyl. It is a phosphatidic acid and a decanoate ester. It is a conjugate acid of a didecanoylphosphatidate(2-).

SMILES: CCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCC

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

InChI: InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 6.4