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endo-BCN-PEG3-NHS ester | 2101206-94-2
| Catalog Number | R16-0024 |
| Category | BCN |
| Molecular Formula | C24H34N2O9 |
| Molecular Weight | 494.53 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R16-0024 | -- | $-- |
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Chemical Information |
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|---|---|
| Synonyms | 2,5-dioxopyrrolidin-1-yl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13-tetraoxa-4-azahexadecan-16-oate |
| Purity | 98% |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1 |
| InChI | InChI=1S/C24H34N2O9/c27-21-7-8-22(28)26(21)35-23(29)9-11-31-13-15-33-16-14-32-12-10-25-24(30)34-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17H2,(H,25,30) |
| InChI Key | HCELGENRAWFQSJ-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Appearance | Soild powder |
- Product Specification
| Storage | -20°C |
Computed Properties | |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 17 |
| Exact Mass | 494.22643067 g/mol |
| Monoisotopic Mass | 494.22643067 g/mol |
| Topological Polar Surface Area | 130Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 784 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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