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Sulfo-Cy5-TCO
| Catalog Number | CCR2129525693 |
| CAS | 2129525-69-3 |
| IUPAC Name | 3-[2-[(1E,3E,5E)-5-[1-[6-[3-[[(4Z)-Cyclooct-4-en-1-yl]oxycarbonylamino]propylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]propane-1-sulfonate |
| Molecular Weight | 959.2 |
| Molecular Formula | C46H62N4O12S3 |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCCNC(=O)OC5CCCC=CCC5)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)[O-])C |
| InChI | InChI=1S/C46H62N4O12S3/c1-45(2)37-32-35(64(56,57)58)23-25-39(37)49(29-15-9-14-22-43(51)47-27-16-28-48-44(52)62-34-18-10-6-5-7-11-19-34)41(45)20-12-8-13-21-42-46(3,4)38-33-36(65(59,60)61)24-26-40(38)50(42)30-17-31-63(53,54)55/h5-6,8,12-13,20-21,23-26,32-34H,7,9-11,14-19,22,27-31H2,1-4H3,(H4-,47,48,51,52,53,54,55,56,57,58,59,60,61)/b6-5- |
| InChI Key | NOAVEHFDKWMOKQ-WAYWQWQTSA-N |
| Solubility | Soluble in water, DMSO, DMF, DCM |
| Application | IEDDA Click Reaction |
| Complexity | 2140 |
| Exact Mass | 958.35263695 |
| Monoisotopic Mass | 958.35263695 |
| Topological Polar Surface Area | 265Ų |
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