N-(Methyltetrazine-PEG4)-amido-PEG8-3,4-dithiophenolmaleimide
Catalog Number | R08-0017 |
Category | Tetrazines |
Molecular Formula | C52H70N6O15S2 |
Molecular Weight | 1083.3 |
Catalog Number | Size | Price | Quantity |
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R08-0017 | -- | $-- |
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Chemical Information |
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IUPAC Name | 3-[2-[2-[2-[2-[2-[2-[2-[2-[2,5-dioxo-3,4-bis(phenylsulfanyl)pyrrol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide |
Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN3C(=O)C(=C(C3=O)SC4=CC=CC=C4)SC5=CC=CC=C5 |
InChI | InChI=1S/C52H70N6O15S2/c1-42-54-56-50(57-55-42)43-12-14-44(15-13-43)73-41-40-72-39-38-66-26-23-63-20-17-53-47(59)16-19-62-22-25-65-28-30-68-32-34-70-36-37-71-35-33-69-31-29-67-27-24-64-21-18-58-51(60)48(74-45-8-4-2-5-9-45)49(52(58)61)75-46-10-6-3-7-11-46/h2-15H,16-41H2,1H3,(H,53,59) |
InChI Key | BCNQGKWIELTKTI-UHFFFAOYSA-N |
- Product Specification
Storage | -20 °C |
Computed Properties | |
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XLogP3 | 2.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 21 |
Rotatable Bond Count | 45 |
Exact Mass | 1082.43405789 g/mol |
Monoisotopic Mass | 1082.43405789 g/mol |
Topological Polar Surface Area | 279Ų |
Heavy Atom Count | 75 |
Formal Charge | 0 |
Complexity | 1480 |
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 |
Applications of Fluorescent Probes & Dyes
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