Molecule ID: 49791955

IUPAC Name: 2-azaniumylethyl [(2S)-2,3-dihydroxypropyl] phosphate

Description: The molecule is zwitterionic form of sn-glycero-3-phosphoethanolamine arising from transfer of a proton from the phospho to the amino group; major species at pH 7.3. It is an enantiomer of a 2-ammonioethyl (2R)-2,3-dihydroxypropyl phosphate zwitterion. It is a tautomer of a sn-glycero-3-phosphoethanolamine.

SMILES: NCCOP(=O)(O)OC[C@@H](O)CO

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

InChI: InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1

Molecular Properties:
- Polar Surface Area: 127.0 Ų
- LogP: -3.3