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Biotin-PEG4-amido-methyltetrazine
| Catalog Number | R08-0030 |
| Category | Tetrazines |
| Molecular Formula | C31H46N8O7S |
| Molecular Weight | 674.8 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R08-0030 | -- | $-- |
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Chemical Information |
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|---|---|
| Purity | 98% |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)CC(=O)NCCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4 |
| InChI | InChI=1S/C31H46N8O7S/c1-22-36-38-30(39-37-22)24-8-6-23(7-9-24)20-28(41)33-11-13-44-15-17-46-19-18-45-16-14-43-12-10-32-27(40)5-3-2-4-26-29-25(21-47-26)34-31(42)35-29/h6-9,25-26,29H,2-5,10-21H2,1H3,(H,32,40)(H,33,41)(H2,34,35,42)/t25-,26-,29-/m0/s1 |
| InChI Key | QRSYEABVWKQKTN-ZEZDXWPOSA-N |
- Product Specification
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 23 |
| Exact Mass | 674.32101701 g/mol |
| Monoisotopic Mass | 674.32101701 g/mol |
| Topological Polar Surface Area | 213Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 924 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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