[(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl]oxymethylphosphonic acid

Systemtic Name: [(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-3-yl]oxymethylphosphonic acid Openeye Name: [(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-3-yl]oxymethylphosphonic acid CAS Name: [(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxolanyl]oxymethylphosphonic acid IUPAC Name: [(3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxymethylphosphonic acid Traditional Name: [(3S,4R,5R)-5-adenin-9-yl-4-hydroxy-tetrahydrofuran-3-yl]oxymethylphosphonic acid Formula: C10H14N5O6P MolecularWeight: 331.221821

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OCP(=O)(O)O

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OCP(=O)(O)O

InChI

InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1