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Methyltetrazine-PEG9-acid
| Catalog Number | R08-0055 |
| Category | Tetrazines |
| Molecular Formula | C30H48N4O12 |
| Molecular Weight | 656.7 |
* 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 | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C30H48N4O12/c1-26-31-33-30(34-32-26)27-2-4-28(5-3-27)46-25-24-45-23-22-44-21-20-43-19-18-42-17-16-41-15-14-40-13-12-39-11-10-38-9-8-37-7-6-29(35)36/h2-5H,6-25H2,1H3,(H,35,36) |
| InChIKey | DNSXREKTZGCQQC-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 32 |
| Exact Mass | 656.32687298 g/mol |
| Monoisotopic Mass | 656.32687298 g/mol |
| Topological Polar Surface Area | 181Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 686 |
| 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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