Molecule ID: 46891774

IUPAC Name: [(2S,3R)-2-amino-3-hydroxyicosyl] dihydrogen phosphate

Description: The molecule is the phosphosphingolipid that is the phosphate ester of C20 sphinganine. It derives from a C20 sphinganine. It is a conjugate acid of a C20 sphinganine 1-phosphate(1-).

SMILES: CCCCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(=O)(O)O

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][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C20H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21)18-26-27(23,24)25/h19-20,22H,2-18,21H2,1H3,(H2,23,24,25)/t19-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 3.5