[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-azanyloxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-azanyloxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3R,4R,5R)-4-aminooxy-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3R,4R,5R)-4-aminooxy-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3R,4R,5R)-4-aminooxy-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3R,4R,5R)-5-adenin-9-yl-4-aminooxy-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H17N6O13P3 MolecularWeight: 522.195663

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)ON

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)ON

InChI

InChI=1S/C10H17N6O13P3/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(27-12)6(17)4(26-10)1-25-31(21,22)29-32(23,24)28-30(18,19)20/h2-4,6-7,10,17H,1,12H2,(H,21,22)(H,23,24)(H2,11,13,14)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1