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Diazo-PEG3-TCO
| Catalog Number | R15-0001 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C45H59N7O6 |
| Molecular Weight | 794.0 |
* 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 | [(4E)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[[4-[[[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]amino]diazenyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | CC1=CC(=C(C(=C1)C)N2C=CN(C2=NN=NC3=CC=C(C=C3)C(=O)NCCOCCOCCOCCNC(=O)OC4CCCC=CCC4)C5=C(C=C(C=C5C)C)C)C |
| InChI | InChI=1S/C45H59N7O6/c1-32-28-34(3)41(35(4)29-32)51-20-21-52(42-36(5)30-33(2)31-37(42)6)44(51)49-50-48-39-16-14-38(15-17-39)43(53)46-18-22-55-24-26-57-27-25-56-23-19-47-45(54)58-40-12-10-8-7-9-11-13-40/h7-8,14-17,20-21,28-31,40H,9-13,18-19,22-27H2,1-6H3,(H,46,53)(H,47,54)/b8-7+,50-48? |
| InChIKey | UVEQCQPFYNNNBD-RLYYCHPISA-N |
| Storage | -20 °C |
| XLogP3 | 8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 19 |
| Exact Mass | 793.45268263 g/mol |
| Monoisotopic Mass | 793.45268263 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 58 |
| Formal Charge | 0 |
| Complexity | 1300 |
| 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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