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Tenofovir

CAT: 0572-TRC-T018500-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T018500-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147127-20-6
Synonyms
[[(1R)-2(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)O
Molecular Formula
C9 H14 N5 O4 P
Molecular Weight
287.21
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
Additionnal Information
IUPAC name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Tenofovir

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 Number147127-20-6
PubChem CID464205
IUPAC Name[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Molecular FormulaC9H14N5O4P
Molecular Weight287.21
XLogP-1.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity354
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O
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
InChIKey
SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of Tenofovir
CAS: 147127-20-6
CID: 464205
Formula: C9H14N5O4P
MW: 287.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.21
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass287.07834094
Monoisotopic Mass287.07834094
Topological Polar Surface Area136 Ų
Heavy Atom Count19
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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