[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: (5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl) phosphono hydrogen phosphate Formula: C10H15N5O10P2 MolecularWeight: 427.201122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)23-10)24-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)