Chemical Component Summary

NameN-[(2S,3S,4R)-3,4-dihydroxy-1-{[6-O-(naphthalen-1-ylcarbamoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide
Identifiers[(2R,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-bis(oxidanyl)octadecoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl N-naphthalen-1-ylcarbamate
FormulaC61 H106 N2 O10
Molecular Weight1,027.502
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
InChIInChI=1S/C61H106N2O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(65)62-52(56(66)53(64)45-36-34-32-30-28-16-14-12-10-8-6-4-2)47-71-60-59(69)58(68)57(67)54(73-60)48-72-61(70)63-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,64,66-69H,3-37,45-48H2,1-2H3,(H,62,65)(H,63,70)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1
InChIKeyFWXGYYGDUQYCLV-DBQLOCGYSA-N

Chemical Details

Formal Charge0
Atom Count179
Chiral Atom Count8
Bond Count181
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 71768085
ChEMBL CHEMBL3589098
ChEBI CHEBI:76108