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Boc-gly-PEG3-endo-BCN | 2110444-63-6
| Catalog Number | R16-0002 |
| Category | BCN |
| Molecular Formula | C28H47N3O8 |
| Molecular Weight | 553.69 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R16-0002 | -- | $-- |
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Chemical Information |
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|---|---|
| Synonyms | Bicyclo[6.1.0]non-4-yn-9-ylmethyl tert-butyl (2-oxo-7,10,13-trioxa-3-azahexadecane-1,16-diyl)dicarbamate |
| Purity | ≥95% |
| Shelf Life | -20°C 3 years powder; -80°C 2 years in solvent |
| Canonical SMILES | CC(C)(C)OC(=O)NCC(=O)NCCCOCCOCCOCCCNC(=O)OCC1C2C1CCC#CCC2 |
| InChI | InChI=1S/C28H47N3O8/c1-28(2,3)39-27(34)31-20-25(32)29-12-8-14-35-16-18-37-19-17-36-15-9-13-30-26(33)38-21-24-22-10-6-4-5-7-11-23(22)24/h22-24H,6-21H2,1-3H3,(H,29,32)(H,30,33)(H,31,34) |
| InChI Key | SPXNLNQWLORDDS-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
- Product Specification
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
Computed Properties | |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 21 |
| Exact Mass | 553.33631547 g/mol |
| Monoisotopic Mass | 553.33631547 g/mol |
| Topological Polar Surface Area | 133Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 799 |
| 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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