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Methyltetrazine-PEG6-DBCO
| Catalog Number | R01-0335 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C40H46N6O8 |
| Molecular Weight | 738.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| IUPAC Name | 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobutanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53 |
| InChI | InChI=1S/C40H46N6O8/c1-31-42-44-40(45-43-31)34-12-14-36(15-13-34)54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-41-38(47)16-17-39(48)46-30-35-8-3-2-6-32(35)10-11-33-7-4-5-9-37(33)46/h2-9,12-15H,16-30H2,1H3,(H,41,47) |
| InChIKey | LYAWWCSDTUVKQV-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 23 |
| Exact Mass | 738.33771245 g/mol |
| Monoisotopic Mass | 738.33771245 g/mol |
| Topological Polar Surface Area | 156Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1140 |
| 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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