Structural formula of N-Hexanoyl-biotin-disialoganglioside GD3

N-Hexanoyl-biotin-disialoganglioside GD3

Product number: 39-4003
CAS number: 2692623-21-3
Synonyms: (3aS,4S,6aR)-N-[6-[[(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]amino]-6-oxohexyl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide

Identifiers

CAS Index Name: 1H-Thieno[3,4-d]imidazole-4-pentanamide, N-[6-[[(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]amino]-6-oxohexyl]hexahydro-2-oxo-, (3aS,4S,6aR)-
Molecular formula: C68H116N6O31S
Molecular weight: 1545.74
Smiles: O=C(O)C1(OC(CO)C(O)C2OC(OC3C(O)C(OC(CO)C3O)OC4C(O)C(O)C(OCC(NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)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
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(CCCCCNC(CCCC[C@H]5[C@@]6([C@](CS5)(NC(=O)N6)[H])[H])=O)=O)[C@@H](/C=C/CCCCCCCCCCCCC)O)[C@H](O)[C@H]4O)O[C@H](CO)[C@@H]3O
InChI: InChI=1S/C68H116N6O31S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-39(81)37(72-48(86)25-18-16-21-26-69-47(85)24-20-19-23-46-49-38(34-106-46)73-66(97)74-49)33-98-62-56(91)55(90)58(45(32-78)100-62)101-63-57(92)61(53(88)43(30-76)99-63)105-68(65(95)96)28-41(83)51(71-36(3)80)60(104-68)54(89)44(31-77)102-67(64(93)94)27-40(82)50(70-35(2)79)59(103-67)52(87)42(84)29-75/h17,22,37-46,49-63,75-78,81-84,87-92H,4-16,18-21,23-34H2,1-3H3,(H,69,85)(H,70,79)(H,71,80)(H,72,86)(H,93,94)(H,95,96)(H2,73,74,97)/b22-17+/t37-,38-,39+,40-,41-,42+,43+,44+,45+,46-,49-,50+,51+,52+,53-,54+,55+,56+,57+,58+,59+,60+,61-,62+,63-,67+,68-/m0/s1
InChIKey: InChIKey=QAQDUJPUVANSIY-QTKITCDDSA-N

Product information

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

Shop now

39-4003-45N-Hexanoyl-biotin-disialoganglioside GD3 - 500 ug885.00 €