Molecule ID: 12302752

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

Description: The molecule is a sphingoid that is C20 sphinganine bearing an additional 4R-hydroxy substituent. It derives from a C20 sphinganine. It is a conjugate base of a C20 phytosphingosine(1+).

SMILES: CCCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO

SELFIES: [C][C][C][C][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/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)20(24)18(21)17-22/h18-20,22-24H,2-17,21H2,1H3/t18-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 5.7