[(1R)-1-(6-azanylpurin-3-yl)-1-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(1R)-1-(6-azanylpurin-3-yl)-1-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(2R)-2-(6-aminopurin-3-yl)-2-hydroxy-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(1R)-1-(6-amino-3-purinyl)-1-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(1R)-1-(6-aminopurin-3-yl)-1-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(2R)-2-(6-aminopurin-3-yl)-2-hydroxy-1-methyl-ethoxy]methylphosphonic acid Formula: C9H14N5O5P MolecularWeight: 303.211721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1C=NC(=C2C1=NC=N2)N)O)OCP(=O)(O)O

Isomeric SMILES

CC([C@H](N1C=NC(=C2C1=NC=N2)N)O)OCP(=O)(O)O

InChI

InChI=1S/C9H14N5O5P/c1-5(19-4-20(16,17)18)9(15)14-3-13-7(10)6-8(14)12-2-11-6/h2-3,5,9,15H,4,10H2,1H3,(H2,16,17,18)/t5?,9-/m1/s1