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

Systemtic Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] naphthalene-1-carboxylate Openeye Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C21H22N5O14P3 MolecularWeight: 661.345763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)OC3C(OC(C3O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C21H22N5O14P3/c22-18-15-19(24-9-23-18)26(10-25-15)20-16(27)17(38-21(28)13-7-3-5-11-4-1-2-6-12(11)13)14(37-20)8-36-42(32,33)40-43(34,35)39-41(29,30)31/h1-7,9-10,14,16-17,20,27H,8H2,(H,32,33)(H,34,35)(H2,22,23,24)(H2,29,30,31)/t14-,16-,17-,20-/m1/s1