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EFdA-TP 3TEA

CAT: 0013-GTR19243183-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243183-01Size:1 mg
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Description
EFdA-TP 3TEA is a salt form of the nucleoside analog EFdA-TP, functioning as a potent and selective HIV-1 reverse transcriptase inhibitor. Its multi-mechanistic action against reverse transcriptase, including delayed chain termination, contributes to a high barrier to drug resistance, making it a valuable tool for antiviral research in vitro.
CAS Number
2736455-59-5
Product Name Alternative
EFdATP3TEA
Field of Research
Infectious Disease & Virology
Purity
97.22% (May vary between batches)
Smiles
CCN (CC) CC.O=P (O) (O) OP (OP (OC[C@]1 (O[C@H] (C[C@@H]1O) N2C3=NC (F) =NC (N) =C3N=C2) C#C) (O) =O) (O) =O.CCN (CC) CC.CCN (CC) CC
Molecular Formula
C30H60FN8O12P3
Molecular Weight
836.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

EFdA-TP 3TEA
CAS Number2736455-59-5
PubChem CID175666816
IUPAC Name[[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;tris(N,N-diethylethanamine)
Molecular FormulaC30H60FN8O12P3
Molecular Weight836.8
Topological Polar Surface Area269
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count18
Heavy Atom Count54
Formal Charge0
Complexity972
SMILES
CCN(CC)CC.CCN(CC)CC.CCN(CC)CC.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
InChI
InChI=1S/C12H15FN5O12P3.3C6H15N/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;3*1-4-7(5-2)6-3/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22);3*4-6H2,1-3H3/t6-,7+,12+;;;/m0.../s1
InChIKey
XDAMGUMOTWMULP-RHMXPULXSA-N
Chemical Structure
2D Structure
2D structure of EFdA-TP 3TEA
CAS: 2736455-59-5
CID: 175666816
Formula: C30H60FN8O12P3
MW: 836.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight836.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count20
Rotatable Bond Count18
Exact Mass836.35275853
Monoisotopic Mass836.35275853
Topological Polar Surface Area269 Ų
Heavy Atom Count54
Formal Charge0
Complexity972
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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BUP21148-01EFdA-TP 3TEA
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