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Carboxyrhodamine 110-PEG4-alkyne | CAS 2055103-66-5
| Catalog Number | F05-0007 |
| Category | Rhodamine |
| Molecular Formula | C₃₂H₃₃N₃O₈ |
| Molecular Weight | 587.62 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Carboxyrhodamine 110-PEG4-alkyne is a polyethylene glycol (PEG)-based PROTAC linker. Carboxyrhodamine 110-PEG4-alkyne can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 5-((3,6,9,12-Tetraoxapentadec-14-yn-1-yl)carbamoyl)-2-(3,6-diaminoxanthylium-9-yl)benzoate; 5-((3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamoyl)-2-(6-amino-3-iminio-3H-xanthen-9-yl)benzoate; 2-(3-amino-6-iminoxanthen-9-yl)-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]benzoic acid; 3,6-diamino-9-{2-carboxylato-4-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)carbamoyl]phenyl}-10-xanthen-10-ylium |
| Purity | 95% |
| IUPAC Name | 2-(3-amino-6-iminoxanthen-9-yl)-5-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylcarbamoyl]benzoic acid |
| Canonical SMILES | C#CCOCCOCCOCCOCCNC(=O)C1=CC(=C(C=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O |
| InChI | InChI=1S/C32H33N3O8/c1-2-10-39-12-14-41-16-17-42-15-13-40-11-9-35-31(36)21-3-6-24(27(18-21)32(37)38)30-25-7-4-22(33)19-28(25)43-29-20-23(34)5-8-26(29)30/h1,3-8,18-20,33H,9-17,34H2,(H,35,36)(H,37,38) |
| InChIKey | JXQJIYQBZLRJHC-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DMF, DCM |
| Excitation | 501 |
| Emission | 523 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 16 |
| Exact Mass | 587.22676502 g/mol |
| Monoisotopic Mass | 587.22676502 g/mol |
| Topological Polar Surface Area | 162Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1140 |
| 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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