Adenosine-5'-diphosphate disodium salt(16178-48-6) 1H NMR
Product NameAdenosine-5'-diphosphate disodium salt
CAS16178-48-6
Molecular FormulaC10H15N5O10P2.2Na
Molecular Weight471.16
InChIInChI=1S/C10H13N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q-2;2*+1/t4-,6-,7-,10-;;/m1../s1
InChIKey SOYLSSDFQRGLCA-IDIVVRGQSA-N
Smiles[Na+].[Na+].C(OP(=O)(O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)[C@H]([O-])[C@@H]1[O-]
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H13 N5 Na2 O10 P2 0.033 g : 0.5 ml DMSO-d6 adenosine 5'-diphosphate disodium salt 
Assign. Shift(ppm)
A 8.408 B 8.171 C 7.37 D 5.945 E 4.623 F 4.218 G 4.088 J *1 3.99 K *1 3.92 H2O SIGNAL REMOVED
Hz ppm Int.3360.75 8.410 595 3265.69 8.172 1000 2947.08 7.375 368 2378.85 5.953 420 2372.89 5.938 416 1852.57 4.636 178 1847.08 4.622 267 1846.77 4.621 267 1841.74 4.609 201 1689.76 4.229 188 1686.86 4.221 242 1686.40 4.220 242 1682.43 4.210 195 1634.83 4.091 268 1631.93 4.084 270 1596.37 3.995 163 1590.27 3.980 170 1575.01 3.941 149 1574.55 3.940 149 1569.06 3.927 148
in DMSO-d6
KBr disc
