[2-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [2-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [2-(6-aminopurin-9-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [2-(6-aminopurin-9-yl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [2-(6-aminopurin-9-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: (2-adenin-9-yl-4-hydroxy-butoxy)methylphosphonic acid Formula: C10H16N5O5P MolecularWeight: 317.238301

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C10H16N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7(1-2-16)3-20-6-21(17,18)19/h4-5,7,16H,1-3,6H2,(H2,11,12,13)(H2,17,18,19)