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

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4-azidophenyl) hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (4-azidophenyl) hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] (4-azidophenyl) hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (4-azidophenyl) hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (4-azidophenyl) hydrogen phosphate Formula: C16H18N8O10P2 MolecularWeight: 544.309242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC(=CC=C1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C16H18N8O10P2/c17-14-11-15(20-6-19-14)24(7-21-11)16-13(26)12(25)10(32-16)5-31-35(27,28)34-36(29,30)33-9-3-1-8(2-4-9)22-23-18/h1-4,6-7,10,12-13,16,25-26H,5H2,(H,27,28)(H,29,30)(H2,17,19,20)/t10-,12-,13-,16-/m1/s1