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EFdA-TP tetrasodium

CAT: 0013-GTR19212767-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212767-02Size:50 mg
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Description
EFdA-TP tetrasodium is a highly effective nucleoside reverse transcriptase inhibitor that blocks HIV-1 replication by terminating DNA chain elongation. It serves as a critical tool for investigating HIV-1 RT inhibition mechanisms in both in vitro enzymatic assays and in vivo antiviral research studies.
CAS Number
2883783-00-2
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology, Protein Biochemistry
Smiles
C#C[C@@]1 (COP ([O-]) (OP ([O-]) (OP ([O-]) ([O-]) =O) =O) =O) [C@@H] (O) C[C@H] (N2C=NC3=C (N) N=C (F) N=C32) O1.[Na+].[Na+].[Na+].[Na+]
Molecular Formula
C12H11FN5Na4O12P3
Molecular Weight
621.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tetrasodium;[[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS Number2883783-00-2
PubChem CID171360904
IUPAC Nametetrasodium;[[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular FormulaC12H11FN5Na4O12P3
Molecular Weight621.12
Topological Polar Surface Area270
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity918
SMILES
C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C12H15FN5O12P3.4Na/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18;;;;/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22);;;;/q;4*+1/p-4/t6-,7+,12+;;;;/m0..../s1
InChIKey
FNAXCBIZNJRMDE-OCSZSNTDSA-J
Chemical Structure
2D Structure
2D structure of tetrasodium;[[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS: 2883783-00-2
CID: 171360904
Formula: C12H11FN5Na4O12P3
MW: 621.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass620.91918709
Monoisotopic Mass620.91918709
Topological Polar Surface Area270 Ų
Heavy Atom Count37
Formal Charge0
Complexity918
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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