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16:0 DBCO PE
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16:0 DBCO PE

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Catalog NumberCCR2260670424
CAS2260670-42-4
IUPAC NameAzanium;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]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate
Molecular Weight996.3
Molecular FormulaC56H90N3O10P
Canonical SMILESCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
InChIInChI=1S/C56H87N2O10P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-55(61)65-46-51(68-56(62)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47-67-69(63,64)66-44-43-57-53(59)41-42-54(60)58-45-50-35-30-29-33-48(50)39-40-49-34-31-32-36-52(49)58;/h29-36,51H,3-28,37-38,41-47H2,1-2H3,(H,57,59)(H,63,64);1H3/t51-;/m1./s1
InChI KeyVMNQBMCGXSXSJG-GLOFXQGCSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity1510
Exact Mass995.63638307
Isomeric SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)OC(=O)CCCCCCCCCCCCCCC.[NH4+]
Monoisotopic Mass995.63638307
Topological Polar Surface Area162Ų

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