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