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Carboxyrhodamine 110-PEG4-DBCO
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Carboxyrhodamine 110-PEG4-DBCO

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Catalog NumberCCR197
IUPAC Name2-(3-Amino-6-iminoxanthen-9-yl)-4-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid;2-(3-amino-6-iminoxanthen-9-yl)-5-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]benzoic acid
Molecular Weight1759.9
Molecular FormulaC100H98N10O20
Canonical SMILESC1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)C(=O)O)C5=C6C=CC(=N)C=C6OC7=C5C=CC(=C7)N.C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCNC(=O)C4=CC(=C(C=C4)C5=C6C=CC(=N)C=C6OC7=C5C=CC(=C7)N)C(=O)O
InChIInChI=1S/2C50H49N5O10/c51-37-12-15-40-44(30-37)65-45-31-38(52)13-16-41(45)48(40)42-29-35(11-14-39(42)50(59)60)49(58)54-20-22-62-24-26-64-28-27-63-25-23-61-21-18-46(56)53-19-17-47(57)55-32-36-7-2-1-5-33(36)9-10-34-6-3-4-8-43(34)55;51-37-12-15-40-44(30-37)65-45-31-38(52)13-16-41(45)48(40)39-14-11-35(29-42(39)50(59)60)49(58)54-20-22-62-24-26-64-28-27-63-25-23-61-21-18-46(56)53-19-17-47(57)55-32-36-7-2-1-5-33(36)9-10-34-6-3-4-8-43(34)55/h2*1-8,11-16,29-31,51H,17-28,32,52H2,(H,53,56)(H,54,58)(H,59,60)
InChI KeyXQDAZUXRGBDDNM-UHFFFAOYSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity3700
Exact Mass1759.69924039
Monoisotopic Mass1759.69924039
Topological Polar Surface Area424Ų

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