Metabolite Tenofovir alanine
- Name
- Tenofovir alanine
- Description
- Not Available
- Structure
Structure for Tenofovir alanine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 434.393
Monoisotopic: 434.146754863 - Chemical Formula
- C18H23N6O5P
- InChI Key
- NWHKAJWJKCADJB-SKNKREGJSA-N
- InChI
- InChI=1S/C18H23N6O5P/c1-12(8-24-10-22-15-16(19)20-9-21-17(15)24)28-11-30(27,23-13(2)18(25)26)29-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,27)(H,25,26)(H2,19,20,21)/t12-,13+,30+/m1/s1
- IUPAC Name
- (2S)-2-{[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]amino}propanoic acid
- SMILES
- C[C@H](CN1C=NC2=C(N)N=CN=C12)OC[P@@](=O)(N[C@@H](C)C(O)=O)OC1=CC=CC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.525 mg/mL ALOGPS logP 0.23 ALOGPS logP 0.46 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 4.1 Chemaxon pKa (Strongest Basic) 3.49 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 154.48 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 108.81 m3·mol-1 Chemaxon Polarizability 40.93 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon