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Di(1,N(6)-Ethenoadenosine)-5',5'''-P(1),P(4)-Tetraphosphate

Catalog No. : NC21024

CAS No. : 96920-51-3

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₄H₂₈N₁₀O₁₉P₄

Chemical Name : Di(1,N(6)-Ethenoadenosine)-5',5'''-P(1),P(4)-Tetraphosphate

Molecular Weight : 884.43

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Basic information

Standard English name
Cas No.	96920-51-3
Alias	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Canonical Smiles	COP(=O)(OP(O)(=O)OP(O)(=O)OP(=O)(O[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C2C(=NC3=NC=CN23)N=C1)OC)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C2C(=NC3=NC=CN23)N=C1
MDL No.
Exact Mass	884.04826
Smiles	O=P(OP(O)(OP(O[C@H]1O[C@@H](N2C=NC3=NC4=NC=CN4C3=C2)[C@H](O)[C@@H]1O)(OC)=O)=O)(OP(O[C@H]5O[C@@H](N6C=NC7=NC8=NC=CN8C7=C6)[C@H](O)[C@@H]5O)(OC)=O)O

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Inchi	InChI=1S/C24H28N10O19P4/c1-45-56(43,49-21-15(37)13(35)19(47-21)31-7-11-17(27-9-31)29-23-25-3-5-33(11)23)52-54(39,40)51-55(41,42)53-57(44,46-2)50-22-16(38)14(36)20(48-22)32-8-12-18(28-10-32)30-24-26-4-6-34(12)24/h3-10,13-16,19-22,35-38H,1-2H3,(H,39,40)(H,41,42)/t13-,14-,15+,16+,19-,20-,21-,22-,56?,57?/m1/s1
InchiKey	KFPHOGAGCJBZHQ-HWEUVEIOSA-N
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