Tenofovir Alafenamide

Chemical Information
Tenofovir alafenamide is an L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection. It has a role as an antiviral drug, a prodrug and a HIV-1 reverse transcriptase inhibitor. It is a member of 6-aminopurines, an ether, a phosphoramidate ester, an isopropyl ester and a L-alanine derivative. It is functionally related to an adenine. It is a conjugate base of a tenofovir alafenamide(1+).
| CAS Number | 379270-37-8 |
| PubChem CID | 9574768 |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate |
| Molecular Formula | C21H29N6O5P |
| Molecular Weight | 476.5 |
| XLogP | 1.9 |
| Topological Polar Surface Area | 143 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 680 |
| Property | Value |
|---|---|
| Molecular Weight | 476.5 |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 476.19370504 |
| Monoisotopic Mass | 476.19370504 |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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