97224-58-3

Name 7-DEAZA-2'-DEOXYINOSINE
CAS 97224-58-3
Molecular Formula C11H13N3O4
MDL Number MFCD07778652
Molecular Weight 251.24
MOL File 97224-58-3.mol
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Chemical Properties

Melting point  235-236 °C (decomp)(Solv: water (7732-18-5))
Boiling point  630.5±55.0 °C(Predicted)
density  1.75±0.1 g/cm3(Predicted)
pka 12.45±0.20(Predicted)
InChI InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8+,9+/s3
InChIKey DLWAVFIOUHJFFQ-AGECWMLJNA-N
SMILES O=C1N=CNC2=C1C=CN2[C@H]1C[C@@H]([C@H](O1)CO)O |&1:10,12,13,r|

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