1.0 2016-05-22 05:46:04 UTC 2026-08-20 06:46:31 UTC Adefovir dipivoxil SmallMolecule Adefovir dipivoxil (C20H32N5O8P) is a chemical compound classified as an organic compound and an organoheterocyclic compound. Adefovir dipivoxil belongs to the purines and purine derivatives, a subclass of imidazopyrimidines within the organic compounds. With an average molecular weight of 501.47 g/mol, Adefovir dipivoxil is a heavy molecule. This compound is identified as an antiviral within the category of healthcare, pharmaceuticals, and veterinary products. It is recorded as being found in or released from nine distinct sources. These sources include electrical and electronic equipment such as antennas, television systems, video games, and electrically stimulated smoking devices. It is also associated with household cleaning and consumer products, specifically cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. Additionally, it is linked to food, food processing, and cookware, specifically fermentation processes for beer. The recorded route of exposure for this compound is oral. Regarding its biological activity, Adefovir dipivoxil has one recorded protein target, categorized as other of Protein P. Adefovirdipivoxil C20H32N5O8P 501.4705 501.198849537 [({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate adefovir dipivoxil 142340-99-6 CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23) WOZSCQDILHKSGG-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Imidazopyrimidines Purines and purine derivatives 6-aminopurines Amino acids and derivatives Aminopyrimidines and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acid esters Dialkyl alkylphosphonates Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organic oxides Organophosphorus compounds Organopnictogen compounds Phosphonic acid esters Primary amines 6-aminopurine Amine Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl alkylphosphonate Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Imidazole Imidolactam N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organophosphonic acid derivative Organophosphorus compound Organopnictogen compound Phosphonic acid diester Phosphonic acid ester Primary amine Pyrimidine Aromatic heteropolycyclic compounds Detected and Not Quantified Adefovir Dipivoxil Metabolism Pathway SMP0000629 Adefovir Dipivoxil Action Pathway (New) SMP0124945 Adefovir dipivoxil Drug Metabolism Action Pathway SMP0143162 logp 3.06 logp 1.49 ALOGPS logs -2.90 ALOGPS solubility 6.33e-01 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_acidic 18.59 ChemAxon pka_strongest_basic 5.13 ChemAxon iupac [({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}({[(2,2-dimethylpropanoyl)oxy]methoxy})phosphoryl)oxy]methyl 2,2-dimethylpropanoate ChemAxon average_mass 501.4705 ChemAxon mono_mass 501.198849537 ChemAxon smiles CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N)N=CN=C12)OCOC(=O)C(C)(C)C ChemAxon formula C20H32N5O8P ChemAxon inchi InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23) ChemAxon inchikey WOZSCQDILHKSGG-UHFFFAOYSA-N ChemAxon polar_surface_area 166.98 ChemAxon refractivity 119.99 ChemAxon polarizability 49 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227fc1ea8> DB00718 60871 54855 BE0000312