Molecule ID: 70679000

IUPAC Name: (2S,3R)-2-amino-15-methylhexadecane-1,3-diol

Description: The molecule is a sphingoid that is hexadecasphinganine substituted at position 15 by a methyl group. It is a sphingoid and an aminodiol. It is a conjugate base of a 15-methylhexadecasphinganine(1+).

SMILES: CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)CO

SELFIES: [C][C][Branch1][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/C17H37NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h15-17,19-20H,3-14,18H2,1-2H3/t16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: 5.0