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Tri-(Propargyl-PEG2-ethoxymethyl)-methane-amido-PEG3-carboxylate
| Catalog Number | R01-0070 |
| Category | Alkynes |
| Molecular Formula | C44H72N4O18 |
| Molecular Weight | 945.1 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 3-[2-[2-[3-[[1,3-bis[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]-2-[[3-oxo-3-[2-(2-prop-2-ynoxyethoxy)ethylamino]propoxy]methyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C#CCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCC#C)(COCCC(=O)NCCOCCOCC#C)NC(=O)CCOCCOCCOCCC(=O)O |
| InChI | InChI=1S/C44H72N4O18/c1-4-15-55-26-31-60-23-12-45-39(49)7-19-64-36-44(37-65-20-8-40(50)46-13-24-61-32-27-56-16-5-2,38-66-21-9-41(51)47-14-25-62-33-28-57-17-6-3)48-42(52)10-18-58-29-34-63-35-30-59-22-11-43(53)54/h1-3H,7-38H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)(H,53,54) |
| InChIKey | KHUVFVVIOOWNDR-UHFFFAOYSA-N |
| Storage | -20 °C |
| XLogP3 | -4.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 18 |
| Rotatable Bond Count | 49 |
| Exact Mass | 944.48416146 g/mol |
| Monoisotopic Mass | 944.48416146 g/mol |
| Topological Polar Surface Area | 265Ų |
| Heavy Atom Count | 66 |
| Formal Charge | 0 |
| Complexity | 1300 |
| 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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