Molecule ID: 86289327

IUPAC Name: [(2R)-2-acetyloxy-3-hexadecoxypropyl] octanoate

Description: The molecule is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol in which the alkyl and acyl groups are specified as palmityl and capryloyl. It is a 1-alkyl-2-acetyl-3-acyl-sn-glycerol and an octanoate ester. It derives from a 1-O-palmityl-2-acetyl-sn-glycerol.

SMILES: CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC)OC(C)=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C@H1][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C29H56O5/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-22-24-32-25-28(34-27(3)30)26-33-29(31)23-21-19-9-7-5-2/h28H,4-26H2,1-3H3/t28-/m1/s1

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 10.7