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Azido-PEG3-Val-Cit-PAB-OH | 2055024-65-0
| Catalog Number | R14-0028 |
| Category | Azides |
| Molecular Formula | C27H44N8O8 |
| Molecular Weight | 608.69 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R14-0028 | -- | $-- |
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Chemical Information |
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|---|---|
| Synonyms | (S)-2-((S)-1-azido-14-isopropyl-12-oxo-3,6,9-trioxa-13-azapentadecan-15-amido)-N-(4-(hydroxymethyl)phenyl)-5-ureidopentanamide |
| Purity | >98.0% |
| Shelf Life | -20°C 3 years powder; -80°C 2 years in solvent |
| Canonical SMILES | CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCOCCOCCOCCN=[N+]=[N-] |
| InChI | InChI=1S/C27H44N8O8/c1-19(2)24(34-23(37)9-12-41-14-16-43-17-15-42-13-11-31-35-29)26(39)33-22(4-3-10-30-27(28)40)25(38)32-21-7-5-20(18-36)6-8-21/h5-8,19,22,24,36H,3-4,9-18H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H3,28,30,40)/t22-,24-/m0/s1 |
| InChI Key | UNBTYONTPDVRKD-UPVQGACJSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Solid |
- Product Specification
| Storage | -20°C |
Computed Properties | |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 23 |
| Exact Mass | 608.32821039 g/mol |
| Monoisotopic Mass | 608.32821039 g/mol |
| Topological Polar Surface Area | 205Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 879 |
| 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 |
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