[(1R,2S)-2-(6-aminopurin-9-yl)cyclohexyl]oxymethylphosphonic acid

Systemtic Name: [(1R,2S)-2-(6-aminopurin-9-yl)cyclohexyl]oxymethylphosphonic acid Openeye Name: [(1R,2S)-2-(6-aminopurin-9-yl)cyclohexoxy]methylphosphonic acid CAS Name: [(1R,2S)-2-(6-aminopurin-9-yl)cyclohexyl]oxymethylphosphonic acid IUPAC Name: [(1R,2S)-2-(6-aminopurin-9-yl)cyclohexyl]oxymethylphosphonic acid Traditional Name: [(1R,2S)-2-adenin-9-ylcyclohexoxy]methylphosphonic acid Formula: C12H18N5O4P MolecularWeight: 327.276181

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)N2C=NC3=C2N=CN=C3N)OCP(=O)(O)O

InChI

InChI=1S/C12H18N5O4P/c13-11-10-12(15-5-14-11)17(6-16-10)8-3-1-2-4-9(8)21-7-22(18,19)20/h5-6,8-9H,1-4,7H2,(H2,13,14,15)(H2,18,19,20)/t8-,9+/m0/s1