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Propargyl-PEG6-NHS ester | CAS 2093153-99-0
| Catalog Number | R01-0226 |
| Category | Alkynes |
| Molecular Formula | C20H31NO10 |
| Molecular Weight | 445.46 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Propargyl-PEG6-NHS ester is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Chemical Information
Product Specification
Computed Properties
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 4,7,10,13,16,19-hexaoxadocos-21-yn-1-oate |
| Purity | >98.0% |
| Shelf Life | 0-4°C for short term (days to weeks), or -20°C for long term (months). |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C#CCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O |
| InChI | InChI=1S/C20H31NO10/c1-2-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-20(24)31-21-18(22)3-4-19(21)23/h1H,3-17H2 |
| InChIKey | WVFFBCAEFRYUEY-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 21 |
| Exact Mass | 445.19479619 g/mol |
| Monoisotopic Mass | 445.19479619 g/mol |
| Topological Polar Surface Area | 119Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 558 |
| 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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