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Methyltetrazine-PEG4-hydrazone-DBCO
| Catalog Number | R01-0315 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C48H51N9O8 |
| Molecular Weight | 881.97 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Computed Properties
| Purity | ≥95% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCOCCOCCOCCOCCNC(=O)C3=CC=C(C=C3)C=NNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64 |
| InChI | InChI=1S/C48H51N9O8/c1-35-52-55-47(56-53-35)40-14-10-36(11-15-40)32-50-44(58)22-24-62-26-28-64-30-31-65-29-27-63-25-23-49-48(61)41-16-12-37(13-17-41)33-51-54-45(59)20-21-46(60)57-34-42-8-3-2-6-38(42)18-19-39-7-4-5-9-43(39)57/h2-17,33H,20-32,34H2,1H3,(H,49,61)(H,50,58)(H,54,59)/b51-33- |
| InChIKey | ZJVZNEHWFCHHDP-UVXOUDFXSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Red solid |
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 24 |
| Exact Mass | 881.38605962 g/mol |
| Monoisotopic Mass | 881.38605962 g/mol |
| Topological Polar Surface Area | 208Ų |
| Heavy Atom Count | 65 |
| Formal Charge | 0 |
| Complexity | 1550 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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