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Azido-PEG3-Val-Cit-PAB-PNP | CAS 2055047-18-0
| Catalog Number | R14-0031 |
| Category | Azides |
| Molecular Formula | C34H47N9O12 |
| Molecular Weight | 773.79 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 4-((14S,17S)-1-azido-14-isopropyl-12,15-dioxo-17-(3-ureidopropyl)-3,6,9-trioxa-13,16-diazaoctadecan-18-amido)benzyl (4-nitrophenyl) carbonate |
| Purity | >98.0% |
| Shelf Life | ≥ 2 years |
| IUPAC Name | |
| Canonical SMILES | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C34H47N9O12/c1-23(2)30(41-29(44)13-16-51-18-20-53-21-19-52-17-15-38-42-36)32(46)40-28(4-3-14-37-33(35)47)31(45)39-25-7-5-24(6-8-25)22-54-34(48)55-27-11-9-26(10-12-27)43(49)50/h5-12,23,28,30H,3-4,13-22H2,1-2H3,(H,39,45)(H,40,46)(H,41,44)(H3,35,37,47)/t28-,30-/m0/s1 |
| InChIKey | HLBCDJANEWKOSX-JDXGNMNLSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
| Storage | Store at -20 °C, keep in dry and avoid sunlight. |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 27 |
| Exact Mass | 773.33441797 g/mol |
| Monoisotopic Mass | 773.33441797 g/mol |
| Topological Polar Surface Area | 266Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1250 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021116446-A1 | Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting) | 2019-12-11 |
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