[3-(6-aminopurin-9-yl)-5-oxidanyl-pentoxy]methylphosphonic acid

Systemtic Name: [3-(6-aminopurin-9-yl)-5-oxidanyl-pentoxy]methylphosphonic acid Openeye Name: [3-(6-aminopurin-9-yl)-5-hydroxy-pentoxy]methylphosphonic acid CAS Name: [3-(6-aminopurin-9-yl)-5-hydroxypentoxy]methylphosphonic acid IUPAC Name: [3-(6-aminopurin-9-yl)-5-hydroxypentoxy]methylphosphonic acid Traditional Name: (3-adenin-9-yl-5-hydroxy-pentoxy)methylphosphonic acid Formula: C11H18N5O5P MolecularWeight: 331.264881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N5O5P/c12-10-9-11(14-5-13-10)16(6-15-9)8(1-3-17)2-4-21-7-22(18,19)20/h5-6,8,17H,1-4,7H2,(H2,12,13,14)(H2,18,19,20)