[(2R,3S,5R)-5-[(6R)-6-azanyl-3,6,7,8-tetrahydropurin-9-yl]-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-azanylbenzoate

Systemtic Name: [(2R,3S,5R)-5-[(6R)-6-azanyl-3,6,7,8-tetrahydropurin-9-yl]-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-azanylbenzoate Openeye Name: [(2R,3S,5R)-5-[(6R)-6-amino-3,6,7,8-tetrahydropurin-9-yl]-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [(2R,3S,5R)-5-[(6R)-6-amino-3,6,7,8-tetrahydropurin-9-yl]-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,5R)-5-[(6R)-6-amino-3,6,7,8-tetrahydropurin-9-yl]-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [(2R,3S,5R)-5-[(6R)-6-amino-3,6,7,8-tetrahydropurin-9-yl]-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C17H25N6O13P3 MolecularWeight: 614.334083

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2CNC3=C2NC=NC3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)C4=CC=CC=C4N

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2CNC3=C2NC=N[C@H]3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)C4=CC=CC=C4N

InChI

InChI=1S/C17H25N6O13P3/c18-10-4-2-1-3-9(10)17(24)34-11-5-13(23-8-22-14-15(19)20-7-21-16(14)23)33-12(11)6-32-38(28,29)36-39(30,31)35-37(25,26)27/h1-4,7,11-13,15,22H,5-6,8,18-19H2,(H,20,21)(H,28,29)(H,30,31)(H2,25,26,27)/t11-,12+,13+,15+/m0/s1