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3'-O-(Azidomethyl)-2'-deoxy-2'-fluoro-5-iodouridine 5'-(tetrahydrogen triphosphate)

Catalog No. : NC382478

CAS No. : 1187621-28-8

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₀H₁₄FIN₅O₁₄P₃

Chemical Name : 3'-O-(Azidomethyl)-2'-deoxy-2'-fluoro-5-iodouridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 667.07

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Basic information

Standard English name
Cas No.	1187621-28-8
Alias	(((2R,3R,4R,5R)-3-(azidomethoxy)-4-fluoro-5-(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	[N-]=[N+]=NCO[C@H]1[C@@H](F)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)N1C=C(I)C(=O)NC1=O
MDL No.
Exact Mass	666.87788
Smiles	O=C(NC(C(I)=C1)=O)N1[C@H](O2)[C@H](F)[C@H](OCN=[N+]=[N-])[C@H]2COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C10H14FIN5O14P3/c11-6-7(27-3-14-16-13)5(29-9(6)17-1-4(12)8(18)15-10(17)19)2-28-33(23,24)31-34(25,26)30-32(20,21)22/h1,5-7,9H,2-3H2,(H,23,24)(H,25,26)(H,15,18,19)(H2,20,21,22)/t5-,6-,7-,9-/m1/s1
InchiKey	IBSSZNKXHMGCCS-JXOAFFINSA-N
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