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DBCO-PEG8-Mal
| Catalog Number | R01-0386 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C44H58N4O13 |
| Molecular Weight | 851.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN4C(=O)C=CC4=O |
| InChI | InChI=1S/C44H58N4O13/c49-40(11-12-44(53)48-35-38-7-2-1-5-36(38)9-10-37-6-3-4-8-39(37)48)45-16-19-54-21-23-56-25-27-58-29-31-60-33-34-61-32-30-59-28-26-57-24-22-55-20-17-46-41(50)15-18-47-42(51)13-14-43(47)52/h1-8,13-14H,11-12,15-35H2,(H,45,49)(H,46,50) |
| InChIKey | QVDWXJPVYDMUAJ-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -0.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 33 |
| Exact Mass | 850.40003792 g/mol |
| Monoisotopic Mass | 850.40003792 g/mol |
| Topological Polar Surface Area | 190Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1400 |
| 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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