39679-56-6

Name Cyclo-CMP
CAS 39679-56-6
Molecular Formula C9H12N3O7P
MDL Number MFCD22372816
Molecular Weight 305.18
MOL File 39679-56-6.mol
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Chemical Properties

Boiling point  564.6±60.0 °C(Predicted)
density  2.28±0.1 g/cm3(Predicted)
pka 1.81±0.10(Predicted)
InChI InChI=1/C9H12N3O7P/c10-5-1-2-12-8-7(19-9(12)11-5)6(13)4(18-8)3-17-20(14,15)16/h1-2,4,6-8,10,13H,3H2,(H2,14,15,16)/t4-,6-,7+,8-/s3
InChIKey RFDMQLYQQYSJMZ-YEZNIHIWNA-N
SMILES O[C@@H]1[C@H](O[C@@]2([H])N3C=CC(=N)N=C3O[C@@]12[H])COP(O)(O)=O |&1:1,2,4,14,r|

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