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Azidobutanamide-Tri-(m-PEG8-ethoxymethyl)-methane
| Catalog Number | R14-0034 |
| Category | Azides |
| Molecular Formula | C68H133N7O31 |
| Molecular Weight | 1544.8 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0034 | -- | $-- |
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Chemical Information |
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|---|---|
| Purity | 98% |
| IUPAC Name | 4-azido-N-[1,3-bis[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]butanamide |
| Canonical SMILES | COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCCN=[N+]=[N-] |
| InChI | InChI=1S/C68H133N7O31/c1-80-19-22-86-31-34-92-43-46-98-55-58-101-52-49-95-40-37-89-28-25-83-16-10-70-64(76)6-13-104-61-68(74-67(79)5-4-9-73-75-69,62-105-14-7-65(77)71-11-17-84-26-29-90-38-41-96-50-53-102-59-56-99-47-44-93-35-32-87-23-20-81-2)63-106-15-8-66(78)72-12-18-85-27-30-91-39-42-97-51-54-103-60-57-100-48-45-94-36-33-88-24-21-82-3/h4-63H2,1-3H3,(H,70,76)(H,71,77)(H,72,78)(H,74,79) |
| InChI Key | GZVJEOKFSGTBML-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
- Product Specification
| Storage | -20 °C |
Computed Properties | |
|---|---|
| XLogP3 | -5.6 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 33 |
| Rotatable Bond Count | 92 |
| Exact Mass | 1543.9046005 g/mol |
| Monoisotopic Mass | 1543.9046005 g/mol |
| Topological Polar Surface Area | 380Ų |
| Heavy Atom Count | 106 |
| Formal Charge | 0 |
| Complexity | 1730 |
| 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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