Structural formula of N-omega-CD3-Octadecanoyl-monosialogangliosideGM1 NH4+ salt

N-omega-CD3-Octadecanoyl-monosialogangliosideGM1 NH4+ salt

Product number: 71-1101
CAS number: 2692623-83-7

Identifiers

CAS Index Name: Octadecanamide-18,18,18-d3, N-[(1S,2R,3E)-1-[[[O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1→4)-O-[N-acetyl-α-neuraminosyl-(2→3)]-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]-, ammonium salt (1:1)
Molecular formula: C73H128D3N3O31.H3N
Molecular weight: 1566.87
Smiles: O=C(O)C1(OC2C(O)C(OC(CO)C2OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(=O)C)OC5C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCCCC)OC5CO)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1.N
Isomeric Smiles: O([C@@H]1[C@H](O[C@@]2(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C2)[H])[C@@H](O)[C@H](O[C@@H]3[C@@H](CO)O[C@@H](OC[C@H](NC(CCCCCCCCCCCCCCCCC([2H])([2H])[2H])=O)[C@@H](/C=C/CCCCCCCCCCCCC)O)[C@H](O)[C@H]3O)O[C@@H]1CO)[C@H]4[C@H](NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@@H](CO)O4.N
InChI: InChI=1S/C73H131N3O31.H3N/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-98-69-61(94)59(92)63(50(39-80)101-69)103-71-62(95)67(107-73(72(96)97)35-46(85)53(74-42(3)82)66(106-73)55(88)47(86)36-77)64(51(40-81)102-71)104-68-54(75-43(4)83)65(57(90)49(38-79)99-68)105-70-60(93)58(91)56(89)48(37-78)100-70;/h31,33,44-51,53-71,77-81,84-86,88-95H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)(H,96,97);1H3/b33-31+;/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63+,64-,65+,66+,67+,68-,69+,70-,71-,73-;/m0./s1/i1D3;
InChIKey: InChIKey=XKTKEUMFELHBSG-IAQALZRHSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat or in solution
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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71-1101-35N-omega-CD3-Octadecanoyl-monosialogangliosideGM1 NH4+ salt - 500 ug845.00 €