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Tenofovir Monohydrate

CAT: 0572-TRC-T185533-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T185533-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
206184-49-8
Hazard Statement
Toxic if swallowed.
Purity
>95% (HPLC)
Smiles
O.C[C@H](Cn1cnc2c(N)ncnc12)OCP(=O)(O)O
Molecular Formula
C9 H14 N5 O4 P . H2 O
Molecular Weight
305.23
InChI
InChI=1S/C9H14N5O4P.H2O/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);1H2/t6-;/m1./s1
Additionnal Information
IUPAC name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;hydrate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phosphonic acid, P-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, hydrate (1:1)

Tenofovir hydrate is a hydrate that is the monohydrate form of anhydrous tenovir. It has a role as an antiviral drug and a HIV-1 reverse transcriptase inhibitor. It contains a tenofovir (anhydrous).

CAS Number206184-49-8
PubChem CID21146529
IUPAC Name[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;hydrate
Molecular FormulaC9H16N5O5P
Molecular Weight305.23
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity354
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O.O
InChI
InChI=1S/C9H14N5O4P.H2O/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);1H2/t6-;/m1./s1
InChIKey
PINIEAOMWQJGBW-FYZOBXCZSA-N
Chemical Structure
2D Structure
2D structure of Phosphonic acid, P-(((1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, hydrate (1:1)
CAS: 206184-49-8
CID: 21146529
Formula: C9H16N5O5P
MW: 305.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.23
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass305.08890563
Monoisotopic Mass305.08890563
Topological Polar Surface Area137 Ų
Heavy Atom Count20
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 Count2
Compound Is CanonicalizedYes

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