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Active-Mono-Sulfone-PEG9-DBCO
| Catalog Number | R01-0327 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C57H71N3O15S |
| Molecular Weight | 1070.3 |
| Catalog Number | Size | Price | Quantity |
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Product Introduction
Active-Mono-Sulfone-PEG9-DBCO is a PEG linker with a sulfone and a DBCO group. The sulfone group can be conjugated with thiol groups of proteins. The DBCO can undergo copper-free Click Chemistry reactions with azides. The hydrophilic PEG9 chain increases the water solubility of the compound in aqueous media.
Chemical Information |
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|---|---|
| Purity | 98% |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyl]benzamide |
| Canonical SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=C)C(=O)C2=CC=C(C=C2)C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C57H71N3O15S/c1-45-11-19-52(20-12-45)76(65,66)44-46(2)56(63)49-15-17-50(18-16-49)57(64)59-24-26-68-28-30-70-32-34-72-36-38-74-40-42-75-41-39-73-37-35-71-33-31-69-29-27-67-25-23-58-54(61)21-22-55(62)60-43-51-9-4-3-7-47(51)13-14-48-8-5-6-10-53(48)60/h3-12,15-20H,2,21-44H2,1H3,(H,58,61)(H,59,64) |
| InChI Key | CQLPCCISADRCHR-UHFFFAOYSA-N |
- Product Specification
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 39 |
| Exact Mass | 1069.46058974 g/mol |
| Monoisotopic Mass | 1069.46058974 g/mol |
| Topological Polar Surface Area | 221Ų |
| Heavy Atom Count | 76 |
| Formal Charge | 0 |
| Complexity | 1870 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Applications of Fluorescent Probes & Dyes
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