Identification Chemical Properties Hazard Information Supplier

847551-49-9

Name 5-Iodo-7-(2-C-methyl-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS 847551-49-9
Molecular Formula C12H15IN4O4
MDL Number MFCD17017898
Molecular Weight 406.176
MOL File 847551-49-9.mol
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Chemical Properties

Boiling point  675.7±55.0 °C(Predicted)
density  2.28±0.1 g/cm3(Predicted)
pka 12.39±0.70(Predicted)
InChI InChI=1/C12H15IN4O4/c1-12(20)8(19)6(3-18)21-11(12)17-2-5(13)7-9(14)15-4-16-10(7)17/h2,4,6,8,11,18-20H,3H2,1H3,(H2,14,15,16)/t6-,8-,11-,12-/s3
InChIKey VDPOJGOZLKLNFY-PMMCFNNLNA-N
SMILES O1[C@H](CO)[C@@H](O)[C@@](C)(O)[C@@H]1N1C2=C(C(I)=C1)C(N)=NC=N2 |&1:1,4,6,9,r|

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