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

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [(5-adenin-9-yl-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H18N5O13P3 MolecularWeight: 521.207603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N5O13P3/c1-25-8-7(17)5(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)