111869-49-9

Name 7-Deaza-ddG
CAS 111869-49-9
Molecular Formula C11H14N4O3
MDL Number MFCD07778654
Molecular Weight 250.25
MOL File 111869-49-9.mol
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Chemical Properties

Melting point  228 °C (decomp)
density  1.75±0.1 g/cm3(Predicted)
form  Solid
pka 11.29±0.20(Predicted)
color  White to off-white
InChI InChI=1S/C11H14N4O3/c12-11-13-9-7(10(17)14-11)3-4-15(9)8-2-1-6(5-16)18-8/h3-4,6,8,16H,1-2,5H2,(H3,12,13,14,17)/t6-,8+/m0/s1
InChIKey IRKZBFORRGBSAO-POYBYMJQSA-N
SMILES C1(N)=NC(=O)C2C=CN([C@H]3CC[C@@H](CO)O3)C=2N1

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