Molecule ID: 71581052

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

Description: The molecule is a cationic sphingoid that is the conjugate acid of C17 sphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a C17 sphingosine.

SMILES: CCCCCCCCCCCC/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@@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C][O]

InChI: InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h13-14,16-17,19-20H,2-12,15,18H2,1H3/p+1/b14-13+/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 4.7