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Mal-PEG4-bis-PEG3-DBCO
| Catalog Number | R01-0306 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C81H105N9O22 |
| Molecular Weight | 1556.75 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Computed Properties
| Purity | ≥95% |
| Shelf Life | ≥ 2 years |
| IUPAC Name | |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN7C(=O)C=CC7=O |
| InChI | InChI=1S/C81H105N9O22/c91-72(21-23-80(99)89-59-67-13-3-1-9-63(67)17-19-65-11-5-7-15-70(65)89)82-31-40-102-46-52-108-54-48-105-43-34-85-75(94)28-38-111-61-69(87-77(96)30-37-101-45-51-107-57-58-110-56-50-104-42-33-84-74(93)27-36-88-78(97)25-26-79(88)98)62-112-39-29-76(95)86-35-44-106-49-55-109-53-47-103-41-32-83-73(92)22-24-81(100)90-60-68-14-4-2-10-64(68)18-20-66-12-6-8-16-71(66)90/h1-16,25-26,69H,21-24,27-62H2,(H,82,91)(H,83,92)(H,84,93)(H,85,94)(H,86,95)(H,87,96) |
| InChIKey | ZIFGJVXTBDLRCF-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Light yellow oil |
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 59 |
| Exact Mass | 1555.73741601 g/mol |
| Monoisotopic Mass | 1555.73741601 g/mol |
| Topological Polar Surface Area | 363Ų |
| Heavy Atom Count | 112 |
| Formal Charge | 0 |
| Complexity | 2850 |
| 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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