Molecule ID: 70678614

IUPAC Name: [(2S)-1-hydroxy-3-oxoicosan-2-yl]azanium

Description: The molecule is a cationic sphingoid that is the conjugate acid of C20 3-dehydrosphinganine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a C20 3-dehydrosphinganine.

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

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

InChI: InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19,22H,2-18,21H2,1H3/p+1/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 64.9 Ų
- LogP: 6.8