Molecule ID: 71581161

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 17 carbons and 0 double bonds. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCCC(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][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/C34H69NO4/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-33(38)35-31(29-36)34(39)32(37)27-24-21-18-16-15-17-20-23-26-30(2)3/h30-32,34,36-37,39H,4-29H2,1-3H3,(H,35,38)/t31-,32+,34-/m0/s1

Molecular Properties:
- Polar Surface Area: 89.8 Ų
- LogP: 11.9