[3-[6-(hydroxymethyl)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-[6-(hydroxymethyl)purin-9-yl]-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-3-[6-(hydroxymethyl)purin-9-yl]butoxy]methylphosphonic acid CAS Name: [4-hydroxy-3-[6-(hydroxymethyl)-9-purinyl]butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-3-[6-(hydroxymethyl)purin-9-yl]butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-3-(6-methylolpurin-9-yl)butoxy]methylphosphonic acid Formula: C11H17N4O6P MolecularWeight: 332.249641

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=C2C(=N1)N(C=N2)C(CCOCP(=O)(O)O)CO)CO

Isomeric SMILES

C1=NC(=C2C(=N1)N(C=N2)C(CCOCP(=O)(O)O)CO)CO

InChI

InChI=1S/C11H17N4O6P/c16-3-8(1-2-21-7-22(18,19)20)15-6-14-10-9(4-17)12-5-13-11(10)15/h5-6,8,16-17H,1-4,7H2,(H2,18,19,20)