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

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

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Catalog No. : NC212655

CAS No. : 2269474-77-1

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₇H₂₉ClFN₈O₈PS

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

Molecular Weight : 711.06

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Basic information

Standard English name
Cas No.	2269474-77-1
Alias	methyl 1-((2R,3R,4R,5R)-4-(((((1S,2R,3R)-3-(6-chloro-9H-purin-9-yl)-2-(hydroxymethyl)cyclobutyl)methoxy)(2-cyanoethoxy)phosphorothioyl)oxy)-3-fluoro-5-(hydroxymethyl)tetrahydrofuran-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](CO)[C@@H](OP(=S)(OC[C@H]2C[C@H]([C@@H]2CO)N2C=NC3=C(Cl)N=CN=C23)OCCC#N)[C@H]1F
MDL No.
Exact Mass	710.12392
Smiles	O=C(C1=C2N=NN([C@H]3[C@H](F)[C@@H]([C@@H](CO)O3)OP(OCCC#N)(OC[C@@H]4[C@@H](CO)[C@H](N5C=NC6=C(Cl)N=CN=C56)C4)=S)C2=CC=C1)OC

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Inchi	InChI=1S/C27H29ClFN8O8PS/c1-41-27(40)15-4-2-5-17-21(15)34-35-37(17)26-20(29)23(19(10-39)44-26)45-46(47,42-7-3-6-30)43-11-14-8-18(16(14)9-38)36-13-33-22-24(28)31-12-32-25(22)36/h2,4-5,12-14,16,18-20,23,26,38-39H,3,7-11H2,1H3/t14-,16-,18-,19-,20-,23-,26-,46?/m1/s1
InchiKey	KWXJTPJDBMHFOK-PNUBARLQSA-N
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