Molecule ID: 71581221

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 19 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCC(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][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/C36H73NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-35(40)37-33(31-38)36(41)34(39)29-26-23-20-18-17-19-22-25-28-32(2)3/h32-34,36,38-39,41H,4-31H2,1-3H3,(H,37,40)/t33-,34+,36-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 13.0