[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid

Systemtic Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid Openeye Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-benzyl-phosphonamidic acid CAS Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid IUPAC Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-benzylphosphonamidic acid Traditional Name: [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-benzyl-phosphonamidic acid Formula: C17H23N6O12P3 MolecularWeight: 596.318803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1