Molecule ID: 57339295

IUPAC Name: [(2S,3R)-2-azaniumyl-3-hydroxyicosyl] phosphate

Description: The molecule is the organophosphate oxoanion resulting from the addition of a proton to the amino group and the removal of the two acidic protons from the phosphate group of C20 sphinganine 1-phosphate. It is a conjugate base of a C20 sphinganine 1-phosphate.

SMILES: CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)([O-])O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][N][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O]

InChI: InChI=1S/C20H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h19-20,22H,2-18,21H2,1H3,(H2,23,24,25)/p-1/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 3.3