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Sulfo-Cyanine7 tetrazine
| Catalog Number | R08-0016 |
| Category | sulfo-Cyanine7 |
| Molecular Formula | C47H52N7KO7S2 |
| Molecular Weight | 930.19 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0016 | -- | $-- |
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Product Introduction
Sulfo-Cyanine7 is a near infrared, water soluble fluorophore. This derivative contains methyltetrazine group for the fast, efficient, and metal free conjugation with cycloalkenes in a reaction called TCO ligation.
Chemical Information |
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|---|---|
| Purity | NMR 1H, HPLC-MS (95%) |
| IUPAC Name | potassium;3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-2-[2-[3-[2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(C3=CC=C5CCCC(=C5)C=CC6=[N+](C7=C(C6(C)C)C=C(C=C7)S(=O)(=O)[O-])C)(C)C.[K+] |
| InChI | InChI=1S/C47H53N7O7S2.K/c1-31-49-51-45(52-50-31)35-18-14-34(15-19-35)30-48-44(55)13-8-7-9-26-54-41-23-21-37(63(59,60)61)29-39(41)47(4,5)43(54)25-17-33-12-10-11-32(27-33)16-24-42-46(2,3)38-28-36(62(56,57)58)20-22-40(38)53(42)6;/h14-25,27-29H,7-13,26,30H2,1-6H3,(H2-,48,55,56,57,58,59,60,61);/q;+1/p-1 |
| InChI Key | LCGATPHNTMXJNS-UHFFFAOYSA-M |
| Solubility | good in DMF, DMSO, water |
| Appearance | dark green solid |
- Product Specification
| ε, L⋅mol-1⋅cm-1 | 240600 |
| Excitation | 750 |
| Emission | 773 |
| Storage | 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate. |
Computed Properties | |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 929.30067086 g/mol |
| Monoisotopic Mass | 929.30067086 g/mol |
| Topological Polar Surface Area | 218Ų |
| Heavy Atom Count | 64 |
| Formal Charge | 0 |
| Complexity | 2030 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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