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DBCO-PEG6-NHS ester
| Catalog Number | R01-0428 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C38H47N3O12 |
| Molecular Weight | 737.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[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]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42 |
| InChI | InChI=1S/C38H47N3O12/c42-34(11-12-35(43)40-29-32-7-2-1-5-30(32)9-10-31-6-3-4-8-33(31)40)39-16-18-48-20-22-50-24-26-52-28-27-51-25-23-49-21-19-47-17-15-38(46)53-41-36(44)13-14-37(41)45/h1-8H,11-29H2,(H,39,42) |
| InChIKey | NAVVOIUTVMJKRT-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 26 |
| Exact Mass | 737.31597394 g/mol |
| Monoisotopic Mass | 737.31597394 g/mol |
| Topological Polar Surface Area | 169Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1220 |
| 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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