Molecule ID: 72715761

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

SMILES: CCCCCCCCCCCCCCCCCC(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][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/C36H73NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-23-26-29-34(40)36(42)37-32(30-38)35(41)33(39)28-25-22-19-17-16-18-21-24-27-31(2)3/h31-35,38-41H,4-30H2,1-3H3,(H,37,42)/t32-,33+,34?,35-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 12.3