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UNA-G(iBu)-CE Phosphoramidite

Catalog NumberCDMO1120329614

CAS Number1120329-61-4

CategoryPhosphoramidites

Synonyms EX-A7174K
IUPAC Name [(2R)-2-[(2R)-1-[Bis(4-methoxyphenyl)-phenylmethoxy]-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropan-2-yl]oxy-2-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]ethyl] benzoate
Molecular Weight 962.04
Molecular Formula C51H60N7O10P
Canonical SMILES CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C(COC(=O)C3=CC=CC=C3)OC(COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)COP(N(C(C)C)C(C)C)OCCC#N
InChI InChI=1S/C51H60N7O10P/c1-34(2)47(59)55-50-54-46-45(48(60)56-50)53-33-57(46)44(32-64-49(61)37-16-11-9-12-17-37)68-43(31-67-69(66-29-15-28-52)58(35(3)4)36(5)6)30-65-51(38-18-13-10-14-19-38,39-20-24-41(62-7)25-21-39)40-22-26-42(63-8)27-23-40/h9-14,16-27,33-36,43-44H,15,29-32H2,1-8H3,(H2,54,55,56,59,60)/t43-,44-,69?/m1/s1
InChI Key PCZJDFIZVYBABW-WESQYFQMSA-N
Purity HPLC ≥98%
Storage -20 °C
Complexity 1650
Exact Mass 961.41392813
Form White to off-white powder
Heavy Atom Count 69
Isomeric SMILES CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@@H](COC(=O)C3=CC=CC=C3)O[C@H](COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)COP(N(C(C)C)C(C)C)OCCC#N
Monoisotopic Mass 961.41392813
Topological Polar Surface Area 197Ų

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