Molecule ID: 71581184

IUPAC Name: N-[(2S,3S,4R)-1,3,4-trihydroxy-15-methylhexadecan-2-yl]octadecanamide

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 18 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

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

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][C][C]

InChI: InChI=1S/C35H71NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-34(39)36-32(30-37)35(40)33(38)28-25-22-19-17-16-18-21-24-27-31(2)3/h31-33,35,37-38,40H,4-30H2,1-3H3,(H,36,39)/t32-,33+,35-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 12.5