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CAS 81336-74-5

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5'-O-[{[{[bis(chlorooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

Description:
5'-O-[{[{[bis(chlorooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine, with CAS number 81336-74-5, is a complex chemical compound that belongs to the class of nucleotides. This substance features a modified adenosine structure, where the 5'-hydroxyl group is esterified with a phosphoric acid derivative, incorporating multiple phosphoryl groups. The presence of bis(chlorooxy)phosphoryl groups indicates that it has significant reactivity, particularly in biochemical contexts, where it may participate in phosphorylation reactions or serve as a phosphoryl donor. The hydroxy groups contribute to its solubility and potential interactions with biological macromolecules, such as proteins and nucleic acids. This compound is of interest in biochemical research, particularly in studies involving nucleotide metabolism, signal transduction, and the development of therapeutic agents targeting cellular pathways. Its stability and reactivity can be influenced by environmental conditions, such as pH and temperature, making it a subject of interest in both synthetic and biological chemistry.
Formula:C11H16Cl2N5O12P3
InChI:InChI=1/C11H16Cl2N5O12P3/c12-28-32(23,29-13)4-31(21,22)30-33(24,25)26-1-5-7(19)8(20)11(27-5)18-3-17-6-9(14)15-2-16-10(6)18/h2-3,5,7-8,11,19-20H,1,4H2,(H,21,22)(H,24,25)(H2,14,15,16)/t5-,7-,8-,11-/m1/s1
SMILES:C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c(N)ncnc23)O1)O)O)OP(=O)(O)OP(=O)(CP(=O)(OCl)OCl)O
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