Molecule ID: 11312307

IUPAC Name: (2S,3S,4R)-2-aminohexadecane-1,3,4-triol

Description: The molecule is a sphingoid that is C16 sphinganine bearing an additional 4R-hydroxy substituent. It derives from a hexadecasphing-4-enine. It is a conjugate base of a C16 phytosphingosine(1+).

SMILES: CCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)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][N][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/t14-,15+,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.6