Structural formula of Ganglioside GD3-d3

Ganglioside GD3-d3

Product number: 71-5203
CAS number: 2692624-24-9

Identifiers

CAS Index Name: Octadecanamide-18,18,18-d3, N-[(1S,2R,3E)-1-[[[O-(N-acetyl-α-neuraminosyl)-(2→8)-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 (1:2)
Molecular formula: C70H122D3N3O29.2H3N
Molecular weight: 1509.83
Smiles: O=C(O)C1(OC(CO)C(O)C2OC(OC3C(O)C(OC(CO)C3O)OC4C(O)C(O)C(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCCCC)OC4CO)(C(=O)O)CC(O)C2NC(=O)C)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](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])CO)O)([C@H](NC(C)=O)[C@@H](O)C1)[H])[C@@H]3[C@@H](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)O[C@H](CO)[C@@H]3O.N
InChI: InChI=1S/C70H125N3O29.2H3N/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(84)73-44(45(80)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-95-65-59(89)58(88)61(51(40-77)97-65)98-66-60(90)64(56(86)49(38-75)96-66)102-70(68(93)94)36-47(82)54(72-43(4)79)63(101-70)57(87)50(39-76)99-69(67(91)92)35-46(81)53(71-42(3)78)62(100-69)55(85)48(83)37-74;;/h31,33,44-51,53-66,74-77,80-83,85-90H,5-30,32,34-41H2,1-4H3,(H,71,78)(H,72,79)(H,73,84)(H,91,92)(H,93,94);2*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-,69+,70-;;/m0../s1/i1D3;;
InChIKey: InChIKey=VFVCOMSDNRUTEK-MRGKXOJUSA-N

Product information

Purity: >99%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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71-5203-45Ganglioside GD3-d3 - 500 ug835.00