Identification Chemical Properties Hazard Information Supplier

1044589-82-3

Name 7-Deaza-2'-C-ethynyladenosine
CAS 1044589-82-3
Molecular Formula C13H14N4O4
MDL Number MFCD27952796
Molecular Weight 290.27
MOL File 1044589-82-3.mol

Chemical Properties

Boiling point  631.8±55.0 °C(Predicted)
density  1?+-.0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 10.48±0.70(Predicted)
color  White to gray
InChI InChI=1/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/s3
InChIKey NKRAIOQPSBRMOV-YFEBQZRFNA-N
SMILES C([C@]1([C@@H]([C@@H](CO)O[C@H]1N1C=CC2=C(N=CN=C12)N)O)O)#C |&1:1,2,3,7,r|

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