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DBCO-PEG1-NH-Boc
| Catalog Number | R01-0357 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C28H33N3O5 |
| Molecular Weight | 491.6 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-PEG1-NH-Boc is a PEG linker with a DBCO group and a Boc-protected amine. The DBCO can undergo copper-free Click Chemistry reactions with azides. The Boc protecting group can be removed under acidic conditions to further react.
Chemical Information
Product Specification
Computed Properties
| Synonyms | DBCO-PEG-tBoc, MW 3,400; tert-butyl N-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethyl}carbamate |
| Purity | 98% |
| IUPAC Name | tert-butyl N-[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]ethyl]carbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C28H33N3O5/c1-28(2,3)36-27(34)30-17-19-35-18-16-29-25(32)14-15-26(33)31-20-23-10-5-4-8-21(23)12-13-22-9-6-7-11-24(22)31/h4-11H,14-20H2,1-3H3,(H,29,32)(H,30,34) |
| InChIKey | YZCZDGHHGDLMRC-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 11 |
| Exact Mass | 491.24202116 g/mol |
| Monoisotopic Mass | 491.24202116 g/mol |
| Topological Polar Surface Area | 97Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 824 |
| 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 |
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