33430-62-5

Thymidine-5'-monophosphate disodium salt(33430-62-5) ¹³C NMR

Product NameThymidine-5'-monophosphate disodium salt

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|

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¹HNMR

¹³CNMR

IR1

400 MHz in D2O

Thymidine-5'-monophosphate disodium salt(33430-62-5) <sup>13</sup>C NMR

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