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DBCO-NHCO-PEG4-t-butyl ester
| Catalog Number | R01-0384 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C34H44N2O8 |
| Molecular Weight | 608.7 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-NHCO-PEG4-t-butyl ester
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | tert-butyl 3-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCOCCC(=O)NCCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C34H44N2O8/c1-34(2,3)44-33(39)16-19-41-21-23-43-25-24-42-22-20-40-18-15-31(37)35-17-14-32(38)36-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)36/h4-11H,14-26H2,1-3H3,(H,35,37) |
| InChIKey | YSNXYYQVJQQNMB-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 20 |
| Exact Mass | 608.30976637 g/mol |
| Monoisotopic Mass | 608.30976637 g/mol |
| Topological Polar Surface Area | 113Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 952 |
| 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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