[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate

Systemtic Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate Openeye Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate CAS Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate Traditional Name: [(3aR,4R,6R,6aR)-4-adenin-9-yl-2-keto-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl phosphono hydrogen phosphate Formula: C11H13N5O11P2 MolecularWeight: 453.195342

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C3C4C(C(O3)COP(=O)(O)OP(=O)(O)O)OC(=O)O4

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OC(=O)O4

InChI

InChI=1S/C11H13N5O11P2/c12-8-5-9(14-2-13-8)16(3-15-5)10-7-6(25-11(17)26-7)4(24-10)1-23-29(21,22)27-28(18,19)20/h2-4,6-7,10H,1H2,(H,21,22)(H2,12,13,14)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1