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

Systemtic Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-acetamidoethanoate Openeye Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic 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-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester Formula: C14H19N6O9P MolecularWeight: 446.309221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC(=O)NCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C14H19N6O9P/c1-6(21)16-2-8(22)29-30(25,26)27-3-7-10(23)11(24)14(28-7)20-5-19-9-12(15)17-4-18-13(9)20/h4-5,7,10-11,14,23-24H,2-3H2,1H3,(H,16,21)(H,25,26)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1