[(2R,3R,4R,5R)-5-(6-azanyl-7,8-dihydropurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-5-(6-azanyl-7,8-dihydropurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-5-(6-amino-7,8-dihydropurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C10H18N5O13P3 MolecularWeight: 509.196903

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N=CN=C2N

Isomeric SMILES

C1NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N=CN=C2N

InChI

InChI=1S/C10H18N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2,4,6-7,10,14,16H,1,3H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1