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Sulfo-Cy3-Methyltetrazine | CAS 1801924-47-9
| Catalog Number | F03-0023 |
| Category | sulfo-Cyanine3 |
| Molecular Formula | C42H49N7O10S3 |
| Molecular Weight | 908.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo-Cy3-Methyltetrazine is a water soluble dye containing methyltetrazine moiety for the coupling with trans-cyclooctenes. Methyltetrazines possess optimal stability at physiological pH and is highly reactive towards cyclooctenes and this fluorophore is bright and very well visible with naked eye.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2-(3-(3,3-Dimethyl-5-sulfo-1-(3-sulfopropyl)indolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-1-(6-((4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzyl)amino)-6-oxohexyl)-3H-indol-1-ium-5-sulfonate |
| Purity | 95% |
| IUPAC Name | 2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]indol-1-ium-5-sulfonate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCC[N+]3=C(C(C4=C3C=CC(=C4)S(=O)(=O)[O-])(C)C)C=CC=C5C(C6=C(N5CCCS(=O)(=O)O)C=CC(=C6)S(=O)(=O)O)(C)C |
| InChI | InChI=1S/C42H49N7O10S3/c1-28-44-46-40(47-45-28)30-16-14-29(15-17-30)27-43-39(50)13-7-6-8-22-48-35-20-18-31(61(54,55)56)25-33(35)41(2,3)37(48)11-9-12-38-42(4,5)34-26-32(62(57,58)59)19-21-36(34)49(38)23-10-24-60(51,52)53/h9,11-12,14-21,25-26H,6-8,10,13,22-24,27H2,1-5H3,(H3-,43,50,51,52,53,54,55,56,57,58,59) |
| InChIKey | OZCFOARLJNJDKW-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
| Excitation | 555 |
| Emission | 580 |
| Storage | -20 °C |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 16 |
| Exact Mass | 907.27030431 g/mol |
| Monoisotopic Mass | 907.27030431 g/mol |
| Topological Polar Surface Area | 278Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 2000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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