[(2R,3S,5R)-3-bis(phenylmethoxy)phosphoryloxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methyl bis(phenylmethyl) phosphate

Systemtic Name: [(2R,3S,5R)-3-bis(phenylmethoxy)phosphoryloxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methyl bis(phenylmethyl) phosphate Openeye Name: dibenzyl [(2R,3S,5R)-3-dibenzyloxyphosphoryloxy-5-[2-methyl-6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl phosphate CAS Name: phosphoric acid [(2R,3S,5R)-3-bis(phenylmethoxy)phosphoryloxy-5-[2-methyl-6-(methylamino)-9-purinyl]-2-oxolanyl]methyl bis(phenylmethyl) ester IUPAC Name: dibenzyl [(2R,3S,5R)-3-bis(phenylmethoxy)phosphoryloxy-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methyl phosphate Traditional Name: phosphoric acid dibenzyl [(2R,3S,5R)-3-dibenzoxyphosphoryloxy-5-[2-methyl-6-(methylamino)purin-9-yl]tetrahydrofuran-2-yl]methyl ester Formula: C40H43N5O9P2 MolecularWeight: 799.745042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)NC)N=CN2C3CC(C(O3)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC1=NC2=C(C(=N1)NC)N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OP(=O)(OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C40H43N5O9P2/c1-30-43-39(41-2)38-40(44-30)45(29-42-38)37-23-35(54-56(47,50-26-33-19-11-5-12-20-33)51-27-34-21-13-6-14-22-34)36(53-37)28-52-55(46,48-24-31-15-7-3-8-16-31)49-25-32-17-9-4-10-18-32/h3-22,29,35-37H,23-28H2,1-2H3,(H,41,43,44)/t35-,36+,37+/m0/s1