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Sulfo DBCO-PEG3-acid
| Catalog Number | R01-0409 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C31H37N3O11S |
| Molecular Weight | 659.7 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0409 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo DBCO-PEG3-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain and sulfo group increase water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.
- Chemical Information
- Product Specification
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[3-[[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxo-2-sulfopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CNC(=O)CCOCCOCCOCCC(=O)O)S(=O)(=O)O |
| InChI | InChI=1S/C31H37N3O11S/c35-28(12-15-43-17-19-45-20-18-44-16-13-30(37)38)33-21-27(46(40,41)42)31(39)32-14-11-29(36)34-22-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)34/h1-8,27H,11-22H2,(H,32,39)(H,33,35)(H,37,38)(H,40,41,42) |
| InChI Key | NYZWWPUKQMXYHZ-UHFFFAOYSA-N |
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 19 |
| Exact Mass | 659.21488018 g/mol |
| Monoisotopic Mass | 659.21488018 g/mol |
| Topological Polar Surface Area | 206Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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