Inosine-5'-triphosphate trisodium salt(35908-31-7) IR1
Product NameInosine-5'-triphosphate trisodium salt
CAS35908-31-7
Molecular FormulaC10H16N4NaO14P3
Molecular Weight532.16
InChIInChI=1/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/s3
InChIKey QRGLCGLOQVQVCS-UYWZPSNANA-K
SmilesN1(C=NC2C(O)=NC=NC1=2)[C@H]1[C@H](O)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)O)O1.[Na+].[Na+].[Na+] |&1:10,11,13,15,r|
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 N4 Na3 O14 P3 0.039 g : 0.5 ml D2O inosine 5'-triphosphate trisodium salt 
Assign. Shift(ppm)
A 8.438 B 8.197 C 6.127 D 4.748 E 4.535 F 4.415 G 4.18 THE SOLVENT SIGNAL SUPPRESSED.
Hz ppm Int.3372.56 8.439 347 3275.88 8.197 1000 2451.54 6.135 321 2446.17 6.121 373 1903.32 4.763 129 1898.07 4.750 278 1892.82 4.737 169 1817.26 4.548 153 1813.23 4.538 208 1812.50 4.536 222 1808.23 4.525 194 1767.82 4.424 128 1765.63 4.418 161 1765.01 4.417 161 1762.33 4.410 139 1679.08 4.202 135 1676.15 4.195 142 1674.56 4.191 167 1671.63 4.183 222 1668.46 4.175 148 1666.38 4.170 150 1664.31 4.165 80 1663.09 4.162 128
in D2O
KBr disc
