Molecule ID: 10476720

IUPAC Name: 2-azaniumylethyl [(2R)-2,3-di(hexanoyloxy)propyl] phosphate

Description: The molecule is 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are both specified as hexanoyl. It derives from a hexanoate. It is a tautomer of a 1,2-dihexanoyl-sn-glycero-3-phosphoethanolamine.

SMILES: CCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC

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

InChI: InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m1/s1

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 1.6