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

Catalog No. : NC379014

CAS No. : 1202574-61-5

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₇H₁₉FN₆O₈P₂

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

Molecular Weight : 516.31

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Basic information

Standard English name
Cas No.	1202574-61-5
Alias	(2R,3S,5R)-5-(6-(3-(4-fluorophenyl)ureido)-9H-purin-9-yl)-2-(((hydroxyhydrophosphoryl)oxy)methyl)tetrahydrofuran-3-yl hydrogen phosphonate
Canonical Smiles	OP(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)=O)N1C=NC2C1=NC=NC=2NC(=O)NC1=CC=C(F)C=C1
MDL No.
Exact Mass	516.07236
Smiles	O=C(NC(N=CN=C12)=C1N=CN2[C@H](O3)C[C@H](OP(O)=O)[C@H]3COP(O)=O)NC4=CC=C(F)C=C4

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Inchi	InChI=1S/C17H19FN6O8P2/c18-9-1-3-10(4-2-9)22-17(25)23-15-14-16(20-7-19-15)24(8-21-14)13-5-11(32-34(28)29)12(31-13)6-30-33(26)27/h1-4,7-8,11-13,33-34H,5-6H2,(H,26,27)(H,28,29)(H2,19,20,22,23,25)/t11-,12+,13+/m0/s1
InchiKey	TYXJLVZUICHMBA-YNEHKIRRSA-N
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