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

Systemtic Name: [[5-(6-aminopurin-9-yl)-3-oxidanyl-thiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(6-aminopurin-9-yl)-3-hydroxy-2-thiolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-aminopurin-9-yl)-3-hydroxythiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [(5-adenin-9-yl-3-hydroxy-tetrahydrothiophen-2-yl)methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H16N5O11P3S MolecularWeight: 507.247223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1C(C(SC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C10H16N5O11P3S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(30-7)2-24-28(20,21)26-29(22,23)25-27(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)