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N-(DBCO-PEG4)-N-Biotin-PEG4-acid
| Catalog Number | R01-0325 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C50H71N5O14S |
| Molecular Weight | 998.2 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
N-(DBCO-PEG4)-N-Biotin-PEG4-acid is a biotinylation reagent which enable click chemistry with azide.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1C2C(C(S1)CCCCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2 |
| InChI | InChI=1S/C50H71N5O14S/c56-45(15-16-47(58)55-37-41-9-2-1-7-39(41)13-14-40-8-3-4-10-43(40)55)51-18-22-63-26-30-67-34-36-69-32-28-65-24-20-54(19-23-64-27-31-68-35-33-66-29-25-62-21-17-48(59)60)46(57)12-6-5-11-44-49-42(38-70-44)52-50(61)53-49/h1-4,7-10,42,44,49H,5-6,11-12,15-38H2,(H,51,56)(H,59,60)(H2,52,53,61)/t42-,44-,49-/m0/s1 |
| InChIKey | UTSGOLXAYDVUIL-QXMSZIEOSA-N |
| Storage | -20 °C |
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 38 |
| Exact Mass | 997.47182313 g/mol |
| Monoisotopic Mass | 997.47182313 g/mol |
| Topological Polar Surface Area | 247Ų |
| Heavy Atom Count | 70 |
| Formal Charge | 0 |
| Complexity | 1620 |
| 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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