Molecule ID: 57339215

IUPAC Name: [(2S,3R)-1,3-dihydroxyicosan-2-yl]azanium

Description: The molecule is a cationic sphingoid obtained by protonation of the amino group of C20 sphinganine; major species at pH 7.3. It is a conjugate acid of a C20 sphinganine.

SMILES: CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO

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][NH3+1][C][O]

InChI: InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/p+1/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 6.9