[3-[1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-4-oxidanyl-butyl]phosphonic acid

Systemtic Name: [3-[1-(6-aminopurin-9-yl)-2-oxidanyl-ethoxy]-4-oxidanyl-butyl]phosphonic acid Openeye Name: [3-[1-(6-aminopurin-9-yl)-2-hydroxy-ethoxy]-4-hydroxy-butyl]phosphonic acid CAS Name: [3-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-4-hydroxybutyl]phosphonic acid IUPAC Name: [3-[1-(6-aminopurin-9-yl)-2-hydroxyethoxy]-4-hydroxybutyl]phosphonic acid Traditional Name: [3-(1-adenin-9-yl-2-hydroxy-ethoxy)-4-hydroxy-butyl]phosphonic acid Formula: C11H18N5O6P MolecularWeight: 347.264281

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(CO)OC(CCP(=O)(O)O)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(CO)OC(CCP(=O)(O)O)CO

InChI

InChI=1S/C11H18N5O6P/c12-10-9-11(14-5-13-10)16(6-15-9)8(4-18)22-7(3-17)1-2-23(19,20)21/h5-8,17-18H,1-4H2,(H2,12,13,14)(H2,19,20,21)