Molecule ID: 86289969

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

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

SMILES: CCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO

SELFIES: [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/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/p+1/b11-10+/t13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 3.1