Molecule ID: 9925886

IUPAC Name: (2S,3R)-2-aminooctadecan-3-ol

Description: The molecule is a bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen. It has a role as an antineoplastic agent. It is a sphingoid and an amino alcohol. It derives from a sphinganine. It is a conjugate base of a 1-deoxysphinganine(1+).

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][N]

InChI: InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 6.9