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Adenosine, 2'-deoxy-N-[[(2,3,4,5,6-pentafluorophenyl)amino]carbonyl]-, 3',5'-bis(hydrogen phosphonate)

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Catalog No. : NC379012

CAS No. : 1202574-65-9

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₇H₁₅F₅N₆O₈P₂

Chemical Name : Adenosine, 2'-deoxy-N-[[(2,3,4,5,6-pentafluorophenyl)amino]carbonyl]-, 3',5'-bis(hydrogen phosphonate)

Molecular Weight : 588.28

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Basic information

Standard English name
Cas No.	1202574-65-9
Alias	(2R,3S,5R)-2-(((hydroxyhydrophosphoryl)oxy)methyl)-5-(6-(3-(perfluorophenyl)ureido)-9H-purin-9-yl)tetrahydrofuran-3-yl hydrogen phosphonate
Canonical Smiles	OP(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)=O)N1C=NC2=C(NC(=O)NC3=C(F)C(F)=C(F)C(F)=C3F)N=CN=C12
MDL No.
Exact Mass	588.03468
Smiles	O=C(NC(N=CN=C12)=C1N=CN2[C@H](O3)C[C@H](OP(O)=O)[C@H]3COP(O)=O)NC4=C(F)C(F)=C(F)C(F)=C4F

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Inchi	InChI=1S/C17H15F5N6O8P2/c18-8-9(19)11(21)13(12(22)10(8)20)26-17(29)27-15-14-16(24-3-23-15)28(4-25-14)7-1-5(36-38(32)33)6(35-7)2-34-37(30)31/h3-7,37-38H,1-2H2,(H,30,31)(H,32,33)(H2,23,24,26,27,29)/t5-,6+,7+/m0/s1
InchiKey	JSRXEIFOBRTYOY-RRKCRQDMSA-N
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