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Folate-PEG3-alkyne
| Catalog | CCR1245285737 |
| CAS | 1245285-73-7 |
| Synonyms | Folate-PEG3-propargyl |
| IUPAC Name | (2S)-2-[[4-[(2-Amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-5-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethylamino]pentanoic acid |
| Molecular Weight | 610.6 |
| Molecular Formula | C28H34N8O8 |
| Canonical SMILES | C#CCOCCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| InChI | InChI=1S/C28H34N8O8/c1-2-10-42-12-14-44-15-13-43-11-9-30-22(37)8-7-21(27(40)41)34-25(38)18-3-5-19(6-4-18)31-16-20-17-32-24-23(33-20)26(39)36-28(29)35-24/h1,3-6,17,21,31H,7-16H2,(H,30,37)(H,34,38)(H,40,41)(H3,29,32,35,36,39)/t21-/m0/s1 |
| InChI Key | C#CCOCCOCCOCCNC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| Density | 1.41±0.1 g/cm3(Predicted) |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 1040 |
| Exact Mass | 610.24996007 |
| Monoisotopic Mass | 610.24996007 |
| pKa | 3.57±0.10(Predicted) |
| Topological Polar Surface Area | 229 Ų |
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