Molecule ID: 71581168

IUPAC Name: 2-hydroxy-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 and is 2-hydroxylated. It derives from a 15-methylhexadecaphytosphingosine.

SMILES: CCCCCCCCCCCCCCCC(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][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/C34H69NO5/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-32(38)34(40)35-30(28-36)33(39)31(37)26-23-20-17-15-14-16-19-22-25-29(2)3/h29-33,36-39H,4-28H2,1-3H3,(H,35,40)/t30-,31+,32?,33-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 11.2