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

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] phosphono hydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] phosphono hydrogen phosphate Traditional Name: (5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl) phosphono hydrogen phosphate Formula: C10H15N5O9P2 MolecularWeight: 411.201722

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)22-7)23-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)