Molecule ID: 11616885

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

Description: The molecule is a 2-aminoicosane-1,3-diol having (2S,3R)-configuration. It has a role as a mouse metabolite. It is a conjugate base of a C20 sphinganine(1+).

SMILES: CCCCCCCCCCCCCCCCC[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][C@@H1][Branch1][C][O][C@@H1][Branch1][C][N][C][O]

InChI: InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 6.9