ADENOSINE 2' -& 3'-MONOPHOSPHATE FREE(130-49-4) IR1
Product NameADENOSINE 2' -& 3'-MONOPHOSPHATE FREE
CAS130-49-4
Molecular FormulaC10H14N5O7P
Molecular Weight347.22
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6+,7?,10-/m1/s1
InChIKey QDFHPFSBQFLLSW-PKJMTWSGSA-N
SmilesN1=C(N)C2N=CN([C@]3([H])O[C@]([H])(CO)[C@]([H])(O)C3([H])OP(O)(=O)O)C=2N=C1
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Assign. Shift(ppm)
A 8.473 B 8.353 C 6.243 D 5.191 E 4.573 F 4.316 G *1 3.918 J *1 3.874 THE SOLVENT PEAK SUPPRESSED.Spectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
151.02 467 1 148.83 369 2 145.67 950 3 143.87 918 4 119.61 453 5 88.14 676 P 6 88.02 692 P 6 86.31 957 7 77.12 741 P 8 77.02 725 P 8 70.74 693 P 9 70.70 741 P 9 61.84 1000 10Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : KBr disc
