[[3-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]methyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

Systemtic Name: [[3-(6-aminopurin-9-yl)-4-oxidanyl-butoxy]methyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate Openeye Name: [[3-(6-aminopurin-9-yl)-4-hydroxy-butoxy]methyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[3-(6-aminopurin-9-yl)-4-hydroxybutoxy]methyl-[(2,2-dimethyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [[3-(6-aminopurin-9-yl)-4-hydroxybutoxy]methyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(3-adenin-9-yl-4-hydroxy-butoxy)methyl-(pivaloyloxymethoxy)phosphoryl]oxymethyl ester Formula: C22H36N5O9P MolecularWeight: 545.523101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOP(=O)(COCCC(CO)N1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OCOP(=O)(COCCC(CO)N1C=NC2=C1N=CN=C2N)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C22H36N5O9P/c1-21(2,3)19(29)33-12-35-37(31,36-13-34-20(30)22(4,5)6)14-32-8-7-15(9-28)27-11-26-16-17(23)24-10-25-18(16)27/h10-11,15,28H,7-9,12-14H2,1-6H3,(H2,23,24,25)