Molecule ID: 9878914

IUPAC Name: (2S)-2-aminooctadecan-3-one

Description: The molecule is a sphingoid consisting of 3-dehydrosphinganine in which the terminal hydroxy group is replaced by a hydrogen. It derives from a 3-dehydrosphinganine. It is a conjugate base of a 1-deoxy-3-dehydrosphinganine(1+).

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

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

InChI: InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17H,3-16,19H2,1-2H3/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 43.1 Ų
- LogP: 6.8