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Sulfo-Cy7 tetrazine
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Sulfo-Cy7 tetrazine

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Catalog NumberCCR338
IUPAC NamePotassium;(2E)-3,3-dimethyl-1-[6-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methylamino]-6-oxohexyl]-2-[(2E)-2-[3-[(E)-2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indole-5-sulfonate
Molecular Weight930.2
Molecular FormulaC47H52KN7O7S2
Canonical SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(C3=CC=C5CCCC(=C5)C=CC6=[N+](C7=C(C6(C)C)C=C(C=C7)S(=O)(=O)[O-])C)(C)C.[K+]
InChIInChI=1S/C47H53N7O7S2.K/c1-31-49-51-45(52-50-31)35-18-14-34(15-19-35)30-48-44(55)13-8-7-9-26-54-41-23-21-37(63(59,60)61)29-39(41)47(4,5)43(54)25-17-33-12-10-11-32(27-33)16-24-42-46(2,3)38-28-36(62(56,57)58)20-22-40(38)53(42)6;/h14-25,27-29H,7-13,26,30H2,1-6H3,(H2-,48,55,56,57,58,59,60,61);/q;+1/p-1
InChI KeyLCGATPHNTMXJNS-UHFFFAOYSA-M
ApplicationIEDDA Click Reaction
Storage-20 °C
Complexity2030
Exact Mass929.30067086
Isomeric SMILESCC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)CCCCCN\3C4=C(C=C(C=C4)S(=O)(=O)[O-])C(/C3=C\C=C\5/CCCC(=C5)/C=C/C6=[N+](C7=C(C6(C)C)C=C(C=C7)S(=O)(=O)[O-])C)(C)C.[K+]
Monoisotopic Mass929.30067086
Topological Polar Surface Area218Ų

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