Metabolite Tenofovir
- Name
- Tenofovir
- Description
- Not Available
- Structure
Structure for Tenofovir
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- 147127-20-6
- Weight
- Average: 287.2123
Monoisotopic: 287.078340473 - Chemical Formula
- C9H14N5O4P
- InChI Key
- SGOIRFVFHAKUTI-ZCFIWIBFSA-N
- InChI
- InChI=1S/C9H14N5O4P/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)/t6-/m1/s1
- IUPAC Name
- ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonic acid
- SMILES
- C[C@H](CN1C=NC2=C1N=CN=C2N)OCP(O)(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 166.1954645 predictedDarkChem Lite v0.1.0 [M-H]- 165.3513645 predictedDarkChem Lite v0.1.0 [M-H]- 149.29541 predictedDeepCCS 1.0 (2019) [M-H]- 166.1954645 predictedDarkChem Lite v0.1.0 [M-H]- 165.3513645 predictedDarkChem Lite v0.1.0 [M-H]- 149.29541 predictedDeepCCS 1.0 (2019) [M+H]+ 166.0326645 predictedDarkChem Lite v0.1.0 [M+H]+ 164.1548645 predictedDarkChem Lite v0.1.0 [M+H]+ 151.69096 predictedDeepCCS 1.0 (2019) [M+H]+ 166.0326645 predictedDarkChem Lite v0.1.0 [M+H]+ 164.1548645 predictedDarkChem Lite v0.1.0 [M+H]+ 151.69096 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.9300645 predictedDarkChem Lite v0.1.0 [M+Na]+ 157.69391 predictedDeepCCS 1.0 (2019) [M+Na]+ 165.9300645 predictedDarkChem Lite v0.1.0 [M+Na]+ 157.69391 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0014445
- ChemSpider
- 408154
- ChEBI
- 63625
- ChEMBL
- CHEMBL483
- ZINC
- ZINC000001543475
- PharmGKB
- PA10204
- PDBe Ligand
- TFO
- Wikipedia
- Tenofovir_disoproxil
- 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 25.54 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