Molecule ID: 58743267

IUPAC Name: [(2S,3R)-3-hydroxyoctadecan-2-yl]azanium

Description: The molecule is a cationic sphingoid obtained by protonation of the amino group of 1-deoxysphinganine; major species at pH 7.3. It is a cationic sphingoid and a Deoxysphingoid base. It is a conjugate acid of a 1-deoxysphinganine.

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

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

InChI: InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 6.9