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PC methyltetrazine-PEG4-NHS carbonate ester
| Catalog Number | CCR2055736280 |
| CAS | 2055736-28-0 |
| IUPAC Name | (2,5-Dioxopyrrolidin-1-yl) 1-[5-methoxy-4-[4-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutoxy]-2-nitrophenyl]ethyl carbonate |
| Molecular Weight | 785.8 |
| Molecular Formula | C35H43N7O14 |
| Canonical SMILES | CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCNC(=O)CCCOC3=C(C=C(C(=C3)[N+](=O)[O-])C(C)OC(=O)ON4C(=O)CCC4=O)OC |
| InChI | InChI=1S/C35H43N7O14/c1-23(55-35(46)56-41-32(44)10-11-33(41)45)27-21-29(49-3)30(22-28(27)42(47)48)54-13-4-5-31(43)36-12-14-50-15-16-51-17-18-52-19-20-53-26-8-6-25(7-9-26)34-39-37-24(2)38-40-34/h6-9,21-23H,4-5,10-20H2,1-3H3,(H,36,43) |
| InChI Key | FYXJZLYXHCHOII-UHFFFAOYSA-N |
| Density | 1.40±0.1 g/cm3(Predicted) |
| Application | IEDDA Click Reaction |
| Complexity | 1220 |
| Exact Mass | 785.28679907 |
| Monoisotopic Mass | 785.28679907 |
| pKa | 15.38±0.46(Predicted) |
| Topological Polar Surface Area | 255Ų |
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