Molecule ID: 70679054

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

Description: The molecule is a cationic sphingoid that is the conjugate acid of hexadecasphing-4-enine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of a hexadecasphing-4-enine.

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

SELFIES: [C][C][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/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/p+1/b13-12+/t15-,16+/m0/s1

Molecular Properties:
- Polar Surface Area: 68.1 Ų
- LogP: 4.2