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89771-78-8
Catalog No.:AA01EQ3N

89771-78-8 | N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-hexadecanamide

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1mg
≥98%
in stock  
$695.00   $486.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01EQ3N
Chemical Name:
N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-hexadecanamide
CAS Number:
89771-78-8
Molecular Formula:
C40H77NO11S
Molecular Weight:
780.1045
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)CO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O
Properties
Computed Properties
 
Complexity:
1010  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
53  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
35  
XLogP3:
10.9  

Literature

Title: Structural basis for CD1d presentation of a sulfatide derived from myelin and its implications for autoimmunity.

Journal: The Journal of experimental medicine 20051205

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SDS
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Tags:89771-78-8 Molecular Formula|89771-78-8 MDL|89771-78-8 SMILES|89771-78-8 N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-β-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-hexadecanamide