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N-(DBCO-PEG4)-N-biotin-PEG4-NHS
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N-(DBCO-PEG4)-N-biotin-PEG4-NHS

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Catalog NumberCCR2353409728
CAS2353409-72-8
Structure
IUPAC Name(2,5-Dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Weight1095.26
Molecular FormulaC54H74N6O16S
Canonical SMILESC1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C(=O)CCCCC5C6C(CS5)NC(=O)N6
InChIInChI=1S/C54H74N6O16S/c61-47(15-16-49(63)59-39-43-9-2-1-7-41(43)13-14-42-8-3-4-10-45(42)59)55-20-24-69-28-32-73-36-38-75-34-30-71-26-22-58(48(62)12-6-5-11-46-53-44(40-77-46)56-54(67)57-53)21-25-70-29-33-74-37-35-72-31-27-68-23-19-52(66)76-60-50(64)17-18-51(60)65/h1-4,7-10,44,46,53H,5-6,11-12,15-40H2,(H,55,61)(H2,56,57,67)/t44-,46-,53-/m0/s1
InChI KeyWGXIBGJQQHWGKY-XVESOEPISA-N
Density1.33±0.1 g/cm3(Predicted)
SolubilitySoluble in water, DCM, DMF
ApplicationSPAAC & SPANC Click Reaction
Complexity1910
Exact Mass1094.48820147
Isomeric SMILESC1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6
Monoisotopic Mass1094.48820147
pKa13.90±0.40(Predicted)
Topological Polar Surface Area274Ų

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