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Adenylyl(3-5)Cytidylyl(3-5)Cytidine Free Acid

Catalog No. : NC20088

CAS No. : 3128-37-8

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₈H₃₇N₁₁O₁₈P₂

Chemical Name : Adenylyl(3-5)Cytidylyl(3-5)Cytidine Free Acid

Molecular Weight : 877.60

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Basic information

Standard English name
Cas No.	3128-37-8
Alias	(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-((((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl (((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl) hydrogen phosphate
Canonical Smiles	NC1C=CN([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)N3C=NC4C3=NC=NC=4N)[C@@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N3C=CC(N)=NC3=O)[C@H]2O)C(=O)N=1
MDL No.	MFCD00078893
Exact Mass	877.17933
Smiles	O=C1N([C@H]2[C@H](O)[C@H](O)[C@@H](COP(O)(O[C@@H]3[C@@H](COP(O)(O[C@@H]4[C@@H](CO)O[C@@H](N5C=NC6=C(N)N=CN=C65)[C@@H]4O)=O)O[C@@H](N7C=CC(N)=NC7=O)[C@@H]3O)=O)O2)C=CC(N)=N1

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Inchi	InChI=1S/C28H37N11O18P2/c29-13-1-3-37(27(45)35-13)24-17(42)16(41)11(54-24)6-51-58(47,48)57-21-12(55-25(19(21)44)38-4-2-14(30)36-28(38)46)7-52-59(49,50)56-20-10(5-40)53-26(18(20)43)39-9-34-15-22(31)32-8-33-23(15)39/h1-4,8-12,16-21,24-26,40-44H,5-7H2,(H,47,48)(H,49,50)(H2,29,35,45)(H2,30,36,46)(H2,31,32,33)/t10-,11-,12-,16-,17-,18-,19-,20-,21-,24-,25-,26-/m1/s1
InchiKey	VZJYWZRAHCUTCH-FIVCZYLNSA-N
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