Molecule ID: 71581228

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 25 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(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][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/C42H85NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-41(46)43-39(37-44)42(47)40(45)35-32-29-26-24-23-25-28-31-34-38(2)3/h38-40,42,44-45,47H,4-37H2,1-3H3,(H,43,46)/t39-,40+,42-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 16.3