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4'-ethynyl-2-fluoro-2'-deoxyadenosine

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4'-ethynyl-2-fluoro-2'-deoxyadenosine Basic information

Product Name:
4'-ethynyl-2-fluoro-2'-deoxyadenosine
Synonyms:
  • 4'-ethynyl-2-fluoro-2'-deoxyadenosine
  • E2FDA
  • EFdA
  • 2'-deoxy-4'-C-ethynyl-2-fluoro-Adenosine
  • 2'-Deoxy-4'-ethynyl-2-fluoroadenosine
  • 4'-ethynyl-2-fluoro-2'-deoxyadenosine EFDA E2FDA
  • Islatravir
  • Adenosine Related Compound
CAS:
865363-93-5
MF:
C12H12FN5O3
MW:
293.25
Mol File:
865363-93-5.mol
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4'-ethynyl-2-fluoro-2'-deoxyadenosine Chemical Properties

Melting point:
220.0-221.4 °C (decomp)
Boiling point:
669.2±65.0 °C(Predicted)
Density 
1.72±0.1 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMSO:100.0(Max Conc. mg/mL);341.0(Max Conc. mM)
Water:3.57(Max Conc. mg/mL);12.17(Max Conc. mM)
form 
A solid
pka
13.11±0.60(Predicted)
InChI
InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1
InChIKey
IKKXOSBHLYMWAE-QRPMWFLTSA-N
SMILES
OC[C@@]1(C#C)O[C@@H](N2C3C(=C(N=C(F)N=3)N)N=C2)C[C@@H]1O
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4'-ethynyl-2-fluoro-2'-deoxyadenosine Usage And Synthesis

Uses

4'-ethynyl-2-fluoro-2'-deoxyadenosine is a heterocyclic organic compound and can be used as pharmaceutical intermediates.

Uses

MK-?8591 is a carbocyclic nucleoside reverse transcriptase translocation inhibitor and is used as an antiviral with potential use towards the treatment of HIV.

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