Structural formula of N-omega-CD3-Octadecanoyl monosialoganglioside GM2 NH4+ salt

N-omega-CD3-Octadecanoyl monosialoganglioside GM2 NH4+ salt

Product number: 71-1200
CAS number: 2692623-87-1

Identifiers

CAS Index Name: Octadecanamide-18,18,18-d3, N-[(1S,2R,3E)-1-[[[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: C67H118D3N3O26.H3N
Molecular weight: 1404.73
Smiles: O=C(O)C1(OC2C(O)C(OC(CO)C2OC3OC(CO)C(O)C(O)C3NC(=O)C)OC4C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCCCC)OC4CO)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1.N
Isomeric Smiles: O([C@@]1(C(O)=O)O[C@@]([C@@H]([C@@H](CO)O)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@H]2[C@@H](O[C@H]3[C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@@H](CO)O[C@@H](O[C@@H]4[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]4O)[C@@H]2O.N
InChI: InChI=1S/C67H121N3O26.H3N/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50(80)70-43(44(77)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-89-64-57(85)56(84)59(48(38-73)91-64)93-65-58(86)62(60(49(39-74)92-65)94-63-52(69-42(4)76)55(83)54(82)47(37-72)90-63)96-67(66(87)88)35-45(78)51(68-41(3)75)61(95-67)53(81)46(79)36-71;/h31,33,43-49,51-65,71-74,77-79,81-86H,5-30,32,34-40H2,1-4H3,(H,68,75)(H,69,76)(H,70,80)(H,87,88);1H3/b33-31+;/t43-,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-,55+,56+,57+,58+,59+,60-,61+,62+,63-,64+,65-,67-;/m0./s1/i1D3;
InChIKey: InChIKey=OUYSNHGGXMUSJO-XJFTZWFQSA-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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71-1200-34N-omega-CD3-Octadecanoyl monosialoganglioside GM2 NH4+ salt - 250 ug740.00 €