Molecule ID: 71581227

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

Description: The molecule is a N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 16 carbons and 0 double bonds and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCC(O)C(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][Branch1][C][O][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/C33H67NO5/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-31(37)33(39)34-29(27-35)32(38)30(36)25-22-19-16-14-13-15-18-21-24-28(2)3/h28-32,35-38H,4-27H2,1-3H3,(H,34,39)/t29-,30+,31?,32-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 10.7