Molecule ID: 72551566

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

Description: The molecule is a cationic sphingoid that is the conjugate acid of C16 phytosphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a C16 phytosphingosine.

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

SELFIES: [C][C][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/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)16(20)14(17)13-18/h14-16,18-20H,2-13,17H2,1H3/p+1/t14-,15+,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 88.3 Ų
- LogP: 3.6