Tenofovir hydrateProduct ingredient for Tenofovir
- Name
- Tenofovir hydrate
- Drug Entry
- Tenofovir
Tenofovir is an acyclic nucleotide diester analog of adenosine monophosphate.4 In the most strict sense and due to the fact that it presents a phosphate group bound to the nitrogenous base, it is determined as an actual nucleotide analog.4 The antiviral activities of tenofovir were first reported in 1993 and this agent was commercially available since 2008 in the form of tenofovir disoproxil and tenofovir alafenamide in order to obtain oral bioavailability.3,6
- Accession Number
- DBSALT002740
- Structure
Structure for Tenofovir hydrate (DBSALT002740)
- Synonyms
- PMP-A / PMPA / Tenofovir / Tenofovir monohydrate
- External IDs
- GS-1278
- UNII
- 99YXE507IL
- CAS Number
- 206184-49-8
- Weight
- Average: 305.231
Monoisotopic: 305.088905633 - Chemical Formula
- C9H16N5O5P
- InChI Key
- PINIEAOMWQJGBW-FYZOBXCZSA-N
- InChI
- InChI=1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1
- IUPAC Name
- ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid hydrate
- SMILES
- O.C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O
- External Links
- KEGG Drug
- D06074
- ChemSpider
- 20018387
- ChEBI
- 63716
- ChEMBL
- CHEMBL3989702
- Predicted Properties
Property Value Source Water Solubility 1.87 mg/mL ALOGPS logP -1.5 ALOGPS logP -3.4 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 1.35 Chemaxon pKa (Strongest Basic) 3.74 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 136.38 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 67.54 m3·mol-1 Chemaxon Polarizability 26.15 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon