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

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 3-(4-azido-2-nitro-phenyl)propanoate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 3-(4-azido-2-nitro-phenyl)propanoate CAS Name: 3-(4-azido-2-nitrophenyl)propanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 3-(4-azido-2-nitrophenyl)propanoate Traditional Name: 3-(4-azido-2-nitro-phenyl)propionic acid [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C19H22N9O16P3 MolecularWeight: 725.349963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])CCC(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N9O16P3/c20-17-14-18(23-7-22-17)27(8-24-14)19-15(30)16(12(41-19)6-40-46(36,37)44-47(38,39)43-45(33,34)35)42-13(29)4-2-9-1-3-10(25-26-21)5-11(9)28(31)32/h1,3,5,7-8,12,15-16,19,30H,2,4,6H2,(H,36,37)(H,38,39)(H2,20,22,23)(H2,33,34,35)/t12-,15-,16-,19-/m1/s1