Home > Product Catalog > Product category > Nucleoside > 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-β-D-ribofuranosyl]-4,6-difluoro-1H-benzimidazole

1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-β-D-ribofuranosyl]-4,6-difluoro-1H-benzimidazole

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Catalog No. : NC390068

CAS No. : 1145899-82-6

Product Level :

Brand : NewCan Bio

Molecular Formula : C₅₀H₆₂F₂N₅O₉P

Chemical Name : 1-[5-O-[Bis(4-methoxyphenyl)phenylmethyl]-3-O-[[bis(1-methylethyl)amino](2-cyanoethoxy)phosphino]-2-O-[3-[[(1,1-dimethylethoxy)carbonyl]amino]propyl]-β-D-ribofuranosyl]-4,6-difluoro-1H-benzimidazole

Molecular Weight : 946.03

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Basic information

Standard English name
Cas No.	1145899-82-6
Alias	tert-butyl (3-(((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(((2-cyanoethoxy)(diisopropylamino)phosphanyl)oxy)-2-(4,6-difluoro-1H-benzo[d]imidazol-1-yl)tetrahydrofuran-3-yl)oxy)propyl)carbamate
Canonical Smiles	CC(C)(C)OC(=O)NCCCO[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(C2C=CC=CC=2)(C2C=CC(=CC=2)OC)C2C=CC(=CC=2)OC)O[C@H]1N1C=NC2C1=CC(F)=CC=2F
MDL No.
Exact Mass	945.42532
Smiles	FC1=CC(F)=C2N=CN([C@H]3[C@@H]([C@@H]([C@@H](COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6)O3)OP(N(C(C)C)C(C)C)OCCC#N)OCCCNC(OC(C)(C)C)=O)C2=C1

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Inchi	InChI=1S/C50H62F2N5O9P/c1-33(2)57(34(3)4)67(63-28-13-25-53)66-45-43(31-62-50(35-15-11-10-12-16-35,36-17-21-39(59-8)22-18-36)37-19-23-40(60-9)24-20-37)64-47(56-32-55-44-41(52)29-38(51)30-42(44)56)46(45)61-27-14-26-54-48(58)65-49(5,6)7/h10-12,15-24,29-30,32-34,43,45-47H,13-14,26-28,31H2,1-9H3,(H,54,58)/t43-,45-,46-,47-,67?/m1/s1
InchiKey	SCJXNWNVPZVKFN-JYOHRRDYSA-N
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History

NC390607

N-Bicyclo[2.2.1]hept-2-yl-2-chloro-5'-S-(2-fluorophenyl)-2'-C-methyl-2',3'-O-(1-methylethylidene)-5'-thioadenosine