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

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl] phosphono hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl] phosphono hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-2-oxolanyl]-hydroxymethyl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]-hydroxymethyl] phosphono hydrogen phosphate Traditional Name: [(5-adenin-9-yl-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl)-hydroxy-methyl] phosphono hydrogen phosphate Formula: C10H14FN5O10P2 MolecularWeight: 445.191585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14FN5O10P2/c11-3-5(17)6(10(18)25-28(22,23)26-27(19,20)21)24-9(3)16-2-15-4-7(12)13-1-14-8(4)16/h1-3,5-6,9-10,17-18H,(H,22,23)(H2,12,13,14)(H2,19,20,21)