Molecule ID: 70679049

IUPAC Name: (2S)-2-amino-1-hydroxyhexadecan-3-one

Description: The molecule is a sphingoid obtained by formal oxidation of the 3-hydroxy group of hexadecasphinganine. It is a conjugate base of a 3-dehydrohexadecasphinganine(1+).

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

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

InChI: InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h15,18H,2-14,17H2,1H3/t15-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: 4.6