Molecule ID: 70679252

IUPAC Name: (2S,3S,4R)-2-amino-15-methylhexadecane-1,3,4-triol

Description: The molecule is a sphingoid that is 4-hydroxyhexadecasphinganine substituted at position 15 by a methyl group. It is a sphingoid, an amino alcohol and a triol. It is a conjugate base of a 4-hydroxy-15-methylhexadecasphinganine(1+).

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

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

InChI: InChI=1S/C17H37NO3/c1-14(2)11-9-7-5-3-4-6-8-10-12-16(20)17(21)15(18)13-19/h14-17,19-21H,3-13,18H2,1-2H3/t15-,16+,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 86.7 Ų
- LogP: 3.8