[(2R)-4-(6-azanylpurin-1-yl)-1-oxidanyl-4-oxidanylidene-butan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-4-(6-azanylpurin-1-yl)-1-oxidanyl-4-oxidanylidene-butan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-3-(6-aminopurin-1-yl)-1-(hydroxymethyl)-3-oxo-propoxy]methylphosphonic acid CAS Name: [(2R)-4-(6-amino-1-purinyl)-1-hydroxy-4-oxobutan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-4-(6-aminopurin-1-yl)-1-hydroxy-4-oxobutan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-3-(6-aminopurin-1-yl)-3-keto-1-methylol-propoxy]methylphosphonic acid Formula: C10H14N5O6P MolecularWeight: 331.221821

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N(C=NC2=N1)C(=O)CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

C1=NC2=C(N(C=NC2=N1)C(=O)C[C@H](CO)OCP(=O)(O)O)N

InChI

InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-8)14-4-15(9)7(17)1-6(2-16)21-5-22(18,19)20/h3-4,6,16H,1-2,5,11H2,(H2,18,19,20)/t6-/m1/s1