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PC Azido-PEG11-NHS carbonate ester | CAS 2353409-91-1
| Catalog Number | R14-0110 |
| Category | Azides |
| Molecular Formula | C42H68N6O21 |
| Molecular Weight | 993.0 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
PC Azido-PEG11-NHS carbonate ester is a photocleavable linker. It can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules. Azide nable click chemistry with alkyne or DBCO, BCN reagents.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 1-[4-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl (2,5-dioxopyrrolidin-1-yl) carbonate |
| Canonical SMILES | CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])OC)OC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C42H68N6O21/c1-34(68-42(52)69-47-40(50)5-6-41(47)51)35-32-37(55-2)38(33-36(35)48(53)54)67-9-3-4-39(49)44-7-10-56-12-14-58-16-18-60-20-22-62-24-26-64-28-30-66-31-29-65-27-25-63-23-21-61-19-17-59-15-13-57-11-8-45-46-43/h32-34H,3-31H2,1-2H3,(H,44,49) |
| InChIKey | HPWNHKFTJAJEBJ-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 47 |
| Exact Mass | 992.44375320 g/mol |
| Monoisotopic Mass | 992.44375320 g/mol |
| Topological Polar Surface Area | 282Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1410 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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