2′-Deoxy-4′-C-ethynyl-2-fluoroadenosine

CAS Registry Number®

865363-93-5
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CAS Name

2′-Deoxy-4′-C-ethynyl-2-fluoroadenosine

Molecular Formula

C12H12FN5O3

Molecular Mass

293.25

Cite this Page

2′-Deoxy-4′-C-ethynyl-2-fluoroadenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=865363-93-5 (retrieved 2024-04-24) (CAS RN: 865363-93-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220.0-221.4 °C (decomp)

Source(s)

Other Names and Identifiers

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

InChIKey=IKKXOSBHLYMWAE-QRPMWFLTSA-N

SMILES

NC1=C2C(N(C=N2)[C@@H]3O[C@](C#C)(CO)[C@@H](O)C3)=NC(F)=N1

Canonical SMILES

FC=1N=C(N)C=2N=CN(C2N1)C3OC(C#C)(CO)C(O)C3

Other Names for this Substance

  • Adenosine, 2′-deoxy-4′-C-ethynyl-2-fluoro-
  • 2′-Deoxy-4′-C-ethynyl-2-fluoroadenosine
  • 4′-Ethynyl-2-fluoro-2′-deoxyadenosine
  • MK 8591
  • Islatravir

Deleted or Replaced CAS Registry Numbers

1189790-66-6

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