[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitro-benzoate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-oxidanyl-5-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitro-benzoate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 4-azido-2-nitro-benzoate CAS Name: 4-azido-2-nitrobenzoic acid [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-azido-2-nitrobenzoate Traditional Name: 4-azido-2-nitro-benzoic acid [(2R,3R,4R,5R)-2-adenin-9-yl-4-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C17H18N9O16P3 MolecularWeight: 697.296803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])C(=O)OC2C(C(OC2N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N9O16P3/c18-14-11-15(21-5-20-14)25(6-22-11)16-13(40-17(28)8-2-1-7(23-24-19)3-9(8)26(29)30)12(27)10(39-16)4-38-44(34,35)42-45(36,37)41-43(31,32)33/h1-3,5-6,10,12-13,16,27H,4H2,(H,34,35)(H,36,37)(H2,18,20,21)(H2,31,32,33)/t10-,12-,13-,16-/m1/s1