Molecule ID: 57765038

IUPAC Name: [(E,2S,3R)-1,3-dihydroxyicos-4-en-2-yl]azanium

Description: The molecule is a cationic sphingoid that is the conjugate acid of C20 sphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a C20 sphingosine.

SMILES: CCCCCCCCCCCCCCC/C=C/[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/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/p+1/b17-16+/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 6.4