[3-(6-aminopurin-9-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(6-aminopurin-9-yl)-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(6-aminopurin-9-yl)-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-(6-aminopurin-9-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(6-aminopurin-9-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: (3-adenin-9-yl-1-hydroxy-1-phosphono-propyl)phosphonic acid Formula: C8H13N5O7P2 MolecularWeight: 353.165642

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H13N5O7P2/c9-6-5-7(11-3-10-6)13(4-12-5)2-1-8(14,21(15,16)17)22(18,19)20/h3-4,14H,1-2H2,(H2,9,10,11)(H2,15,16,17)(H2,18,19,20)