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Cy5.5 DBCO
| Catalog Number | CCR1857352954 |
| CAS | 1857352-95-4 |
| Synonyms | Cy55 DBCO |
| IUPAC Name | 3-[6-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-8-sulfobenzo[e]indol-3-ium-6-sulfonate |
| Molecular Weight | 1175.37 |
| Molecular Formula | C59H58N4O14S4 |
| Canonical SMILES | CCN1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(C1=CC=CC=CC4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)[O-])CCCCCC(=O)NCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)(C)C |
| InChI | InChI=1S/C59H58N4O14S4/c1-6-61-48-28-26-43-45(33-41(78(66,67)68)35-50(43)80(72,73)74)56(48)58(2,3)52(61)21-9-7-10-22-53-59(4,5)57-46-34-42(79(69,70)71)36-51(81(75,76)77)44(46)27-29-49(57)62(53)32-16-8-11-23-54(64)60-31-30-55(65)63-37-40-19-13-12-17-38(40)24-25-39-18-14-15-20-47(39)63/h7,9-10,12-15,17-22,26-29,33-36H,6,8,11,16,23,30-32,37H2,1-5H3,(H4-,60,64,66,67,68,69,70,71,72,73,74,75,76,77) |
| InChI Key | VTRGNBPOXZSARU-UHFFFAOYSA-N |
| Purity | 99%+ |
| Solubility | Soluble in water, DMSO, DMF, DCM |
| Appearance | Solid |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 3010 |
| Exact Mass | 1174.28323723 |
| Monoisotopic Mass | 1174.28323723 |
| Topological Polar Surface Area | 310Ų |
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