3530-56-1

Name xylocytidine
CAS 3530-56-1
Molecular Formula C9H13N3O5
MDL Number MFCD01689131
Molecular Weight 243.217
MOL File 3530-56-1.mol
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Chemical Properties

Melting point  237-238 °C
Boiling point  545.7±60.0 °C(Predicted)
density  1.89±0.1 g/cm3(Predicted)
pka 13.48±0.70(Predicted)
InChI InChI=1/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6+,7-,8-/s3
InChIKey UHDGCWIWMRVCDJ-QOUWCGOQNA-N
SMILES C1(=O)N([C@H]2[C@H](O)[C@@H](O)[C@@H](CO)O2)C=CC(N)=N1 |&1:3,4,6,8,r|

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