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3-[2-(2,4-Difluorophenyl)ethyl]-5-iodouridine 5'-(tetrahydrogen triphosphate)

Catalog No. : NC226620

CAS No. : 2206722-51-0

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₇H₂₀F₂IN₂O₁₅P₃

Chemical Name : 3-[2-(2,4-Difluorophenyl)ethyl]-5-iodouridine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 750.17

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Basic information

Standard English name
Cas No.	2206722-51-0
Alias	(((2R,3S,4R,5R)-5-(3-(2,4-difluorophenethyl)-5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(I)C(=O)N(CCC2=CC=C(F)C=C2F)C1=O
MDL No.
Exact Mass	749.90893
Smiles	O[C@@H]([C@H]([C@H](N1C(N(CCC2=CC=C(F)C=C2F)C(C(I)=C1)=O)=O)O3)O)[C@H]3COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C17H20F2IN2O15P3/c18-9-2-1-8(10(19)5-9)3-4-21-15(25)11(20)6-22(17(21)26)16-14(24)13(23)12(35-16)7-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-2,5-6,12-14,16,23-24H,3-4,7H2,(H,30,31)(H,32,33)(H2,27,28,29)/t12-,13-,14-,16-/m1/s1
InchiKey	POAVOOWADOJKFJ-IXYNUQLISA-N
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