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Cy5.5-tetrazine hexafluorophosphate
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Cy5.5-tetrazine hexafluorophosphate

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Catalog NumberCCR339
IUPAC Name6-[(2E)-1,1-Dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide;hexafluorophosphate
Molecular Weight897.9
Molecular FormulaC49H50F6N7OP
Canonical SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCC6=CC=C(C=C6)C7=NN=CN=N7)C=CC8=CC=CC=C85)(C)C)C.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C49H49N7O.F6P/c1-48(2)42(55(5)40-29-27-35-16-11-13-18-38(35)45(40)48)20-8-6-9-21-43-49(3,4)46-39-19-14-12-17-36(39)28-30-41(46)56(43)31-15-7-10-22-44(57)50-32-34-23-25-37(26-24-34)47-53-51-33-52-54-47;1-7(2,3,4,5)6/h6,8-9,11-14,16-21,23-30,33H,7,10,15,22,31-32H2,1-5H3;/q;-1/p+1
InChI KeyVTTQBKASVBEOKU-UHFFFAOYSA-O
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity1560
Exact Mass897.37186521
Isomeric SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/4\C(C5=C(N4CCCCCC(=O)NCC6=CC=C(C=C6)C7=NN=CN=N7)C=CC8=CC=CC=C85)(C)C)C.F[P-](F)(F)(F)(F)F
Monoisotopic Mass897.37186521
Topological Polar Surface Area86.9Ų

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