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Chemical structure of α-GalCer analog 8

GC45206

α-GalCer analog 8

Also known as (2S,3R,4S,5R,6R)-2-[(2S,3S,4R)-3,4-dihydroxy-2-(4-tetracosyltriazol-1-yl)octadecoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

α-Galactosylceramide analog 8 (α-GalCer analog 8) is a triazole derivative of α-galactosylceramide

ChemicalCAS922727-14-8MW868.3FormulaC50H97N3O8
CAS number
922727-14-8
Molecular weight
868.3
Formula
C50H97N3O8
Solubility
Soluble in DMSO, Soluble in DMF, Soluble in Ethanol, Soluble in Methanol
InChIKey
YLAIBGQPPXWHSD-MKADWPIHSA-N
Catalogue number
GC45206
Brand
GLPBIO
Computed properties PubChem CID 16105907 · XLogP 15.9 · TPSA 171 Ų · H-bond donors 6
XLogP
15.9
TPSA
171 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
43
Heavy atoms
61

SMILES CCCCCCCCCCCCCCCCCCCCCCCCC1=CN(N=N1)[C@@H](CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O

Computed descriptors from PubChem (CID 16105907), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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