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BCN-PEG4-acid
| Catalog Number | CCR1881221471 |
| CAS | 1881221-47-1 |
| Synonyms | endo-BCN-PEG4 acid |
| IUPAC Name | 3-[2-[2-[2-[2-[[(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid |
| Molecular Weight | 441.5 |
| Molecular Formula | C22H35NO8 |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCC(=O)O)CCC#C1 |
| InChI | InChI=1S/C22H35NO8/c24-21(25)7-9-27-11-13-29-15-16-30-14-12-28-10-8-23-22(26)31-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17H2,(H,23,26)(H,24,25)/t18-,19+,20? |
| InChI Key | MOPSTLKSTPBGBX-YOFSQIOKSA-N |
| Boiling Point | 608.2±55.0 °C(Predicted) |
| Purity | 97%+ |
| Density | 1.20±0.1 g/cm3(Predicted) |
| Appearance | Viscous liquid |
| Application | SPAAC & SPANC Click Reaction |
| Complexity | 581 |
| Exact Mass | 441.23626707 |
| Isomeric SMILES | C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCOCCOCCC(=O)O)CCC#C1 |
| Monoisotopic Mass | 441.23626707 |
| pKa | 4.28±0.10(Predicted) |
| Topological Polar Surface Area | 113Ų |
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