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(2'R)-2'-(Azidomethyl)-2-cyano-2'-deoxy-2'-methyladenosine 5'-(tetrahydrogen triphosphate)

Catalog No. : NC244575

CAS No. : 2080445-74-3

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₃H₁₈N₉O₁₂P₃

Chemical Name : (2'R)-2'-(Azidomethyl)-2-cyano-2'-deoxy-2'-methyladenosine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 585.26

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Basic information

Standard English name
Cas No.	2080445-74-3
Alias	(((2R,3S,4R,5R)-5-(6-amino-2-cyano-9H-purin-9-yl)-4-(azidomethyl)-3-hydroxy-4-methyltetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	C[C@]1(CN=[N+]=[N-])[C@@H](O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O)N1C=NC2=C(N)N=C(C#N)N=C12
MDL No.
Exact Mass	585.02878
Smiles	O[C@@H]([C@@](C)(CN=[N+]=[N-])[C@H](N1C=NC2=C(N=C(C#N)N=C21)N)O3)[C@H]3COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C13H18N9O12P3/c1-13(4-18-21-16)9(23)6(3-31-36(27,28)34-37(29,30)33-35(24,25)26)32-12(13)22-5-17-8-10(15)19-7(2-14)20-11(8)22/h5-6,9,12,23H,3-4H2,1H3,(H,27,28)(H,29,30)(H2,15,19,20)(H2,24,25,26)/t6-,9-,12-,13-/m1/s1
InchiKey	HUYHPLJKWQLXDA-PKYQGKNXSA-N
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