Molecule ID: 86290085

IUPAC Name: N-[(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexanamide

Description: The molecule is a galactosylceramide that is beta-D-galactosylsphinganine in which the ceramide N-acyl group is specified as hexanoyl. It derives from a hexanoic acid.

SMILES: CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N=C(O)CCCCC

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][N][=C][Branch1][C][O][C][C][C][C][C]

InChI: InChI=1S/C30H59NO8/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-24(33)23(31-26(34)20-17-6-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h23-25,27-30,32-33,35-37H,3-22H2,1-2H3,(H,31,34)/t23-,24+,25+,27-,28-,29+,30+/m0/s1

Molecular Properties:
- Polar Surface Area: 149.0 Ų
- LogP: 6.4