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BP fluor 647 DBCO
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BP fluor 647 DBCO

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Catalog NumberCCR237
IUPAC Name(2E)-1-[6-[[3-(2-Azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-6-oxohexyl]-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-3-(4-sulfobutyl)indole-5-sulfonate
Molecular Weight1131.4
Molecular FormulaC55H62N4O14S4
Canonical SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)[O-])(C)CCCCS(=O)(=O)O)CCCS(=O)(=O)O)C
InChIInChI=1S/C55H62N4O14S4/c1-54(2)45-37-43(76(68,69)70)26-28-48(45)57(34-16-36-75(65,66)67)50(54)21-6-4-7-22-51-55(3,31-13-15-35-74(62,63)64)46-38-44(77(71,72)73)27-29-49(46)58(51)33-14-5-8-23-52(60)56-32-30-53(61)59-39-42-19-10-9-17-40(42)24-25-41-18-11-12-20-47(41)59/h4,6-7,9-12,17-22,26-29,37-38H,5,8,13-16,23,30-36,39H2,1-3H3,(H4-,56,60,62,63,64,65,66,67,68,69,70,71,72,73)
InChI KeyXHFDNKVOMNSKPL-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2760
Exact Mass1130.31453736
Isomeric SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C=CC(=C4)S(=O)(=O)[O-])(C)CCCCS(=O)(=O)O)CCCS(=O)(=O)O)C
Monoisotopic Mass1130.31453736
Topological Polar Surface Area310Ų

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