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CAS 58463-04-0

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[(2R,3R,5R)-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate

Description:
The chemical substance with the name "[(2R,3R,5R)-4-benzoyloxy-5-[6-(dibenzoylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate" and CAS number "58463-04-0" is a complex organic compound characterized by its unique structural features. It contains a tetrahydrofuran ring, which is a five-membered cyclic ether, and is substituted with various functional groups, including benzoyloxy and hydroxymethyl groups. The presence of a purine derivative, specifically a dibenzoylamino group, indicates potential biological activity, as purines are fundamental components of nucleic acids. The stereochemistry of the compound is defined by its (2R,3R,5R) configuration, which suggests specific spatial arrangements of its substituents that can influence its reactivity and interactions. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural complexity and the presence of multiple aromatic systems that can engage in π-π stacking interactions. Overall, its characteristics suggest potential applications in biochemistry and drug design.
Formula:C38H29N5O8
InChI:InChI=1/C38H29N5O8/c44-21-28-30(50-37(47)26-17-9-3-10-18-26)31(51-38(48)27-19-11-4-12-20-27)36(49-28)42-23-41-29-32(42)39-22-40-33(29)43(34(45)24-13-5-1-6-14-24)35(46)25-15-7-2-8-16-25/h1-20,22-23,28,30-31,36,44H,21H2/t28-,30-,31?,36-/m1/s1
SMILES:c1ccc(cc1)C(=O)N(c1c2c(ncn1)n(cn2)[C@H]1C([C@@H]([C@@H](CO)O1)OC(=O)c1ccccc1)OC(=O)c1ccccc1)C(=O)c1ccccc1
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