[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

Systemtic Name: [[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [5-azanyl-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] (5-amino-2,3,4-trihydroxy-pentyl) hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] (5-amino-2,3,4-trihydroxypentyl) hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (5-amino-2,3,4-trihydroxypentyl) hydrogen phosphate Traditional Name: [(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] (5-amino-2,3,4-trihydroxy-pentyl) hydrogen phosphate Formula: C15H26N6O13P2 MolecularWeight: 560.346862

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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)OCC(C(C(CN)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)