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Bromoacetamido-PEG3-TCO
| Catalog Number | R15-0002 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C21H37BrN2O6 |
| Molecular Weight | 493.4 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 96 % |
| IUPAC Name | [(2E)-cyclooct-2-en-1-yl] N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]carbamate |
| Canonical SMILES | C1CCC=CC(CC1)OC(=O)NCCCOCCOCCOCCCNC(=O)CBr |
| InChI | InChI=1S/C21H37BrN2O6/c22-18-20(25)23-10-6-12-27-14-16-29-17-15-28-13-7-11-24-21(26)30-19-8-4-2-1-3-5-9-19/h4,8,19H,1-3,5-7,9-18H2,(H,23,25)(H,24,26)/b8-4+ |
| InChIKey | HBTJXNPPRJQQNV-XBXARRHUSA-N |
| Storage | -20 °C |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 17 |
| Exact Mass | 492.18350 g/mol |
| Monoisotopic Mass | 492.18350 g/mol |
| Topological Polar Surface Area | 95.1Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 478 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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