Tenofovir

Chemical Information
Tenofovir (anhydrous) is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(isopropyloxycarbonyloxymethyl) ester (disoproxil ester) prodrug is used as the fumaric acid salt in combination therapy for the treatment of HIV infection. It has a role as an antiviral drug, a drug metabolite and a HIV-1 reverse transcriptase inhibitor. It is a member of phosphonic acids and a nucleoside analogue. It is a conjugate acid of a tenofovir(1-).
| CAS Number | 147127-20-6 |
| PubChem CID | 464205 |
| IUPAC Name | [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid |
| Molecular Formula | C9H14N5O4P |
| Molecular Weight | 287.21 |
| XLogP | -1.6 |
| Topological Polar Surface Area | 136 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 354 |
| Property | Value |
|---|---|
| Molecular Weight | 287.21 |
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 287.07834094 |
| Monoisotopic Mass | 287.07834094 |
| Topological Polar Surface Area | 136 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 354 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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