[2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid

Systemtic Name: [2-[1-[(2-azanylpurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid Openeye Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-tert-butoxycarbonyloxy-1-(tert-butoxycarbonyloxymethyl)ethyl]phosphonic acid CAS Name: [2-[1-[(2-amino-9-purinyl)methyl]cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxy-oxomethoxy]propan-2-yl]phosphonic acid IUPAC Name: [2-[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxy-1,3-bis[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl]phosphonic acid Traditional Name: [1-[1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]-2-tert-butoxycarbonyloxy-1-(tert-butoxycarbonyloxymethyl)ethyl]phosphonic acid Formula: C22H34N5O10P MolecularWeight: 559.506621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OCC(COC(=O)OC(C)(C)C)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

Isomeric SMILES

CC(C)(C)OC(=O)OCC(COC(=O)OC(C)(C)C)(OC1(CC1)CN2C=NC3=CN=C(N=C32)N)P(=O)(O)O

InChI

InChI=1S/C22H34N5O10P/c1-19(2,3)35-17(28)33-11-22(38(30,31)32,12-34-18(29)36-20(4,5)6)37-21(7-8-21)10-27-13-25-14-9-24-16(23)26-15(14)27/h9,13H,7-8,10-12H2,1-6H3,(H2,23,24,26)(H2,30,31,32)