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DBCO-PEG12-amine TFA salt
| Catalog Number | R01-0401 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C45H69N3O14 |
| Molecular Weight | 876.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Synonyms | DBCO-PEG12-amine |
| IUPAC Name | N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanamide |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN |
| InChI | InChI=1S/C45H69N3O14/c46-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-35-61-37-38-62-36-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-47-44(49)11-12-45(50)48-39-42-7-2-1-5-40(42)9-10-41-6-3-4-8-43(41)48/h1-8H,11-39,46H2,(H,47,49) |
| InChIKey | SLYZCZRDLYGVGG-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 41 |
| Exact Mass | 875.47795388 g/mol |
| Monoisotopic Mass | 875.47795388 g/mol |
| Topological Polar Surface Area | 186Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1160 |
| 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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