Home > Product Catalog > Product category > Nucleoside > 1H-Benzotriazole-4-carboxylic acid, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[[(1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-[(triphenylmethoxy)methyl]cyclobutyl]methoxy](2-cyanoethoxy)phosphinothioyl]-2-deoxy-2-fluoro-β-D-ribofuranosyl]-, methyl ester

1H-Benzotriazole-4-carboxylic acid, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[[(1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-[(triphenylmethoxy)methyl]cyclobutyl]methoxy](2-cyanoethoxy)phosphinothioyl]-2-deoxy-2-fluoro-β-D-ribofuranosyl]-, methyl ester

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Catalog No. : NC212656

CAS No. : 2269474-76-0

Product Level :

Brand : NewCan Bio

Molecular Formula : C₆₇H₆₁ClFN₈O₁₀PS

Chemical Name : 1H-Benzotriazole-4-carboxylic acid, 1-[5-O-[bis(4-methoxyphenyl)phenylmethyl]-3-O-[[[(1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-[(triphenylmethoxy)methyl]cyclobutyl]methoxy](2-cyanoethoxy)phosphinothioyl]-2-deoxy-2-fluoro-β-D-ribofuranosyl]-, methyl ester

Molecular Weight : 1,255.74

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Basic information

Standard English name
Cas No.	2269474-76-0
Alias	methyl 1-((2R,3R,4R,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(((((1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-((trityloxy)methyl)cyclobutyl)methoxy)(2-cyanoethoxy)phosphorothioyl)oxy)-3-fluorotetrahydrofuran-2-yl)-1H-benzo[d][1,2,3]triazole-4-carboxylate
Canonical Smiles	COC(=O)C1C=CC=C2C=1N=NN2[C@@H]1O[C@H](COC(C2C=CC=CC=2)(C2C=CC(=CC=2)OC)C2C=CC(=CC=2)OC)[C@@H](OP(=S)(OC[C@H]2C[C@H]([C@@H]2COC(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)N2C=NC3=C(Cl)N=CN=C23)OCCC#N)[C@H]1F
MDL No.
Exact Mass	1,254.36415
Smiles	O=C(C1=C2N=NN([C@H]3[C@H](F)[C@@H]([C@@H](COC(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6)O3)OP(OCCC#N)(OC[C@@H]7[C@@H](COC(C8=CC=CC=C8)(C9=CC=CC=C9)C%10=CC=CC=C%10)[C@H](N%11C=NC%12=C(Cl)N=CN=C%11%12)C7)=S)C2=CC=C1)OC

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Inchi	InChI=1S/C67H61ClFN8O10PS/c1-79-51-32-28-49(29-33-51)67(48-24-14-7-15-25-48,50-30-34-52(80-2)35-31-50)83-41-57-61(58(69)64(86-57)77-55-27-16-26-53(65(78)81-3)59(55)74-75-77)87-88(89,84-37-17-36-70)85-39-44-38-56(76-43-73-60-62(68)71-42-72-63(60)76)54(44)40-82-66(45-18-8-4-9-19-45,46-20-10-5-11-21-46)47-22-12-6-13-23-47/h4-16,18-35,42-44,54,56-58,61,64H,17,37-41H2,1-3H3/t44-,54-,56-,57-,58-,61-,64-,88?/m1/s1
InchiKey	BOFSIVPCRXGOQM-WPVJIUIFSA-N
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