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

Systemtic Name: [[5-(6-aminopurin-9-yl)-3-azido-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-3-azido-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-3-azido-4-phosphonooxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-3-azido-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [(5-adenin-9-yl-3-azido-4-phosphonooxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H16N8O15P4 MolecularWeight: 612.173684

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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)N=[N+]=[N-])OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-])OP(=O)(O)O

InChI

InChI=1S/C10H16N8O15P4/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(31-34(19,20)21)5(16-17-12)4(30-10)1-29-36(25,26)33-37(27,28)32-35(22,23)24/h2-5,7,10H,1H2,(H,25,26)(H,27,28)(H2,11,13,14)(H2,19,20,21)(H2,22,23,24)