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BP fluor 647-PEG4-TCO
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BP fluor 647-PEG4-TCO

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Catalog NumberCCR406
IUPAC NameTrisodium;(2E)-3-[6-[2-[2-[2-[2-[2-[[(4E)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-1-(3-sulfonatopropyl)indole-5-sulfonate
Molecular Weight1295.5
Molecular FormulaC55H77N4Na3O19S4
Canonical SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=CC=C3C(C4=C(N3CCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])(C)CCCCCC(=O)NCCOCCOCCOCCOCCNC(=O)OC5CCCC=CCC5)CCCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+]
InChIInChI=1S/C55H80N4O19S4.3Na/c1-54(2)46-41-44(81(68,69)70)22-24-48(46)58(29-15-39-79(62,63)64)50(54)19-11-7-12-20-51-55(3,47-42-45(82(71,72)73)23-25-49(47)59(51)30-16-40-80(65,66)67)26-14-8-13-21-52(60)56-27-31-74-33-35-76-37-38-77-36-34-75-32-28-57-53(61)78-43-17-9-5-4-6-10-18-43;;;/h4-5,7,11-12,19-20,22-25,41-43H,6,8-10,13-18,21,26-40H2,1-3H3,(H5-,56,57,60,61,62,63,64,65,66,67,68,69,70,71,72,73);;;/q;3*+1/p-3/b5-4+;;;
InChI KeyVCZDYCWMVZDMPR-WVFFXBQBSA-K
Purity95%
ApplicationIEDDA Click Reaction
Complexity2660
Exact Mass1294.3757938
Isomeric SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])(C)CCCCCC(=O)NCCOCCOCCOCCOCCNC(=O)OC5CCC/C=C/CC5)CCCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+]
Monoisotopic Mass1294.3757938
Topological Polar Surface Area373Ų

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