Thymidine-5'-monophosphate disodium salt(33430-62-5) IR1
Product NameThymidine-5'-monophosphate disodium salt
CAS33430-62-5
Molecular FormulaC10H16N2NaO8P
Molecular Weight346.21
InChIInChI=1/C10H15N2O8P.2Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18;;/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);;/q;2*+1/p-2/t6-,7+,8+;;/s3
InChIKey AGSQMPPRYZYDFV-QYIXWSIANA-L
Smiles[C@@H]1(C[C@H](O)[C@@H](COP([O-])([O-])=O)O1)N1C=C(C(=O)NC1=O)C.[Na+].[Na+] |&1:0,2,4,r|
400 MHz in D2O
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1H NMR 399.65 MHz C10 H13 N2 Na2 O8 P 0.038 g : 0.5 ml D2O thymidine 5'-monophosphate disodium salt 
Assign. Shift(ppm)
A 7.813 B 6.347 C 4.589 D 4.159 E 3.982 F *1 2.40 G *1 2.36 J 1.938 THE SOLVENT PEAK SUPPRESSED.
Hz ppm Int.3123.17 7.815 279 3121.95 7.812 295 2543.95 6.366 105 2537.35 6.349 163 2530.03 6.331 107 1841.19 4.608 57 1837.89 4.599 117 1834.84 4.592 124 1832.03 4.585 116 1828.74 4.576 65 1666.99 4.172 49 1663.70 4.163 128 1660.16 4.155 137 1657.10 4.147 61 1595.95 3.994 199 1591.19 3.982 302 1587.04 3.972 167 981.69 2.457 32 975.46 2.441 36 974.24 2.438 39 967.65 2.422 106 961.30 2.406 98 960.08 2.403 112 952.88 2.385 126 949.22 2.376 97 946.29 2.368 99 942.75 2.359 97 938.72 2.349 41 935.06 2.340 36 932.25 2.333 35 928.71 2.324 30 775.39 1.941 964 774.29 1.938 1000
in D2O
KBr disc
