[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2,4,6-trimethylbenzoate

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2,4,6-trimethylbenzoate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] ester IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C20H24N5O8P MolecularWeight: 493.407021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O)C

InChI

InChI=1S/C20H24N5O8P/c1-9-4-10(2)13(11(3)5-9)20(28)33-34(29,30)31-6-12-15(26)16(27)19(32-12)25-8-24-14-17(21)22-7-23-18(14)25/h4-5,7-8,12,15-16,19,26-27H,6H2,1-3H3,(H,29,30)(H2,21,22,23)/t12-,15-,16-,19-/m1/s1