[5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-aminopurin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-adenin-9-yl-4-methoxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H17N5O10P2 MolecularWeight: 441.227702

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C11H17N5O10P2/c1-23-8-7(26-28(20,21)22)5(2-24-27(17,18)19)25-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11H,2H2,1H3,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)