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DMTr-2',2'-diFluoro-dC(Bz)-3'-CE-phosphoramidite

Catalog NumberCDMO142808444

CAS Number142808-44-4

CategoryPhosphoramidites

Synonyms N4-Benzoyl-2'-deoxy-5'-O-DMT-2',2'-difluorocytidine 3'-CE phosphoramidite
IUPAC Name N-[1-[(2R,4R,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3,3-difluorooxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Molecular Weight 869.90
Molecular Formula C46H50F2N5O8P
Canonical SMILES CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1(F)F)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
InChI InChI=1S/C46H50F2N5O8P/c1-31(2)53(32(3)4)62(59-29-13-27-49)61-41-39(60-43(46(41,47)48)52-28-26-40(51-44(52)55)50-42(54)33-14-9-7-10-15-33)30-58-45(34-16-11-8-12-17-34,35-18-22-37(56-5)23-19-35)36-20-24-38(57-6)25-21-36/h7-12,14-26,28,31-32,39,41,43H,13,29-30H2,1-6H3,(H,50,51,54,55)/t39-,41-,43-,62?/m1/s1
InChI Key XLVPZSDAOMSDQP-XBADOKRKSA-N
Purity ≥98%
Storage Below -20 °C
Complexity 1530
Exact Mass 869.33650689
Heavy Atom Count 62
Isomeric SMILES CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H](C1(F)F)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
Monoisotopic Mass 869.33650689
Topological Polar Surface Area 144Ų

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