[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 5-azidonaphthalene-1-carboxylate

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 5-azidonaphthalene-1-carboxylate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 5-azidonaphthalene-1-carboxylate CAS Name: 5-azido-1-naphthalenecarboxylic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 5-azidonaphthalene-1-carboxylate Traditional Name: 5-azidonaphthalene-1-carboxylic acid [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C21H20N8O11P2 MolecularWeight: 622.378022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2N=[N+]=[N-])C(=C1)C(=O)OC3C(OC(C3O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2N=[N+]=[N-])C(=C1)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C21H20N8O11P2/c22-18-15-19(25-8-24-18)29(9-26-15)20-16(30)17(14(38-20)7-37-42(35,36)40-41(32,33)34)39-21(31)12-5-1-4-11-10(12)3-2-6-13(11)27-28-23/h1-6,8-9,14,16-17,20,30H,7H2,(H,35,36)(H2,22,24,25)(H2,32,33,34)/t14-,16-,17-,20-/m1/s1