Molecule ID: 86289970

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

Description: The molecule is an organic cation that is the conjugate acid of tetradecaphytosphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is an ammonium ion derivative, an organic cation and a sphingoid base(1+). It is a conjugate acid of a tetradecaphytosphingosine.

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

SELFIES: [C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][NH3+1][C][O]

InChI: InChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-9-10-13(17)14(18)12(15)11-16/h12-14,16-18H,2-11,15H2,1H3/p+1/t12-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.3 Ų
- LogP: 2.5