Molecule ID: 29986451

IUPAC Name: 2-[5-carboxypentoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium

Description: The molecule is a phosphocholine linked to 6-hydroxyhexanoic acid via a phosphodiester linkage. It is a conjugate acid of a 6-(O-phosphocholine)oxyhexanoic acid betaine and a 6-(O-phosphocholine)oxyhexanoate.

SMILES: C[N+](C)(C)CCOP(=O)(O)OCCCCCC(=O)O

SELFIES: [C][N+1][Branch1][C][C][Branch1][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C11H24NO6P/c1-12(2,3)8-10-18-19(15,16)17-9-6-4-5-7-11(13)14/h4-10H2,1-3H3,(H-,13,14,15,16)/p+1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: -0.4