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Sulfo-Cy7 DBCO
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Sulfo-Cy7 DBCO

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Catalog NumberCCR236
IUPAC NamePotassium;(2E)-1-[6-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]amino]-6-oxohexyl]-3,3-dimethyl-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 Weight1047.4
Molecular FormulaC58H63KN4O8S2
Canonical SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3=CC(=CC=C4C(C5=C(N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)C=CC(=C5)S(=O)(=O)[O-])(C)C)CCC3)C)C.[K+]
InChIInChI=1S/C58H64N4O8S2.K/c1-57(2)48-38-46(71(65,66)67)29-31-51(48)60(5)53(57)33-25-41-17-16-18-42(37-41)26-34-54-58(3,4)49-39-47(72(68,69)70)30-32-52(49)61(54)36-15-7-8-23-55(63)59-35-14-6-9-24-56(64)62-40-45-21-11-10-19-43(45)27-28-44-20-12-13-22-50(44)62;/h10-13,19-22,25-26,29-34,37-39H,6-9,14-18,23-24,35-36,40H2,1-5H3,(H2-,59,63,65,66,67,68,69,70);/q;+1/p-1
InChI KeyWXBKUSOKPMHGIS-UHFFFAOYSA-M
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2440
Exact Mass1046.37243881
Isomeric SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3=C/C(=C/C=C/4\C(C5=C(N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)C=CC(=C5)S(=O)(=O)[O-])(C)C)/CCC3)C)C.[K+]
Monoisotopic Mass1046.37243881
Topological Polar Surface Area187Ų

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