Molecule ID: 129626771

IUPAC Name: 2-azaniumylethyl [(2R)-3-heptanoyloxy-2-hexanoyloxypropyl] phosphate

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

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

SELFIES: [C][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/C18H36NO8P/c1-3-5-7-9-10-17(20)24-14-16(27-18(21)11-8-6-4-2)15-26-28(22,23)25-13-12-19/h16H,3-15,19H2,1-2H3,(H,22,23)/t16-/m1/s1

Molecular Properties:
- Polar Surface Area: 139.0 Ų
- LogP: 2.2