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(S)-Tenofovir

CAT: 0572-TRC-T018480-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T018480-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147127-19-3
Hazard Statement
Not a hazardous substance according to GHS.
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-/m0/s1
Additionnal Information
IUPAC name: [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(S)-Pmpa
CAS Number147127-19-3
PubChem CID122767
IUPAC Name[(2S)-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-/m0/s1
InChIKey
SGOIRFVFHAKUTI-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (S)-Pmpa
CAS: 147127-19-3
CID: 122767
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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