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5-Fluorouridine
5-Fluorouridine ID: B187179
CAS:316-46-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1([C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)c(=O)[nH]c(=O)c(c1)F	
FORMULA: C9H11FN2O6
MASS: 262.1918
EXACT MASS: 262.0601143
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7501     0.0000 
   C   3    0.7493     1.3031     0.0000 
   N   4    1.3031     1.9899     0.7501     0.0000 
   C   5    0.7537     1.2977     1.3018     1.5093     0.0000 
   C   6    1.3396     0.7504     2.0122     2.6419     1.5655     0.0000 
   C   7    1.2977     1.9812     1.4955     1.3018     0.7501     2.3153 
   O   8    1.3360     0.7534     1.5692     2.3192     2.0089     1.2180 
   C   9    1.5053     2.2553     1.3001     0.7542     1.3073     2.7652 
   C  10    1.9398     1.2111     2.5000     3.2008     2.2931     0.7492 
   C  11    1.9385     1.2125     2.2972     3.0437     2.4966     1.2135 
   O  12    1.2984     1.5026     0.7546     1.3025     1.9891     2.2501 
   O  13    2.2515     3.0016     1.9812     1.2977     1.9899     3.4976 
   F  14    1.9853     2.5953     2.2492     1.9910     1.2977     2.7760 
   O  15    1.6337     1.3348     2.3805     2.8728     1.4892     0.7496 
   O  16    2.6394     1.9377     3.2374     3.9232     2.8880     1.3342 
   C  17    2.6378     1.9402     2.8922     3.6410     3.2348     1.9409 
   O  18    2.8880     2.2962     2.9533     3.6727     3.5729     2.5000 

              C   7      O   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    2.6327     0.0000 
   C   9    0.7527     2.7634     0.0000 
   C  10    3.0386     1.2135     3.4288     0.0000 
   C  11    3.1936     0.7496     3.4281     0.7480     0.0000 
   O  12    2.2501     1.3749     1.9906     2.5329     2.1138     0.0000 
   O  13    1.3031     3.4946     0.7463     4.1716     4.1704     2.6002 
   F  14    0.7537     3.2971     1.3035     3.5239     3.7899     3.0038 
   O  15    2.1870     1.9440     2.7953     1.3387     1.9412     2.7906 
   O  16    3.6374     1.9395     4.0973     0.7493     1.3333     3.2795 
   C  17    3.9161     1.3348     4.0963     1.3352     0.7504     2.5531 
   O  18    4.1847     1.5642     4.2340     2.0065     1.3000     2.4420 

              O  13      F  14      O  15      O  16      C  17      O  18
              ------------------------------------------------------------------
   O  13    0.0000 
   F  14    1.5093     0.0000 
   O  15    3.4720     2.4538     0.0000 
   O  16    4.8315     4.0366     1.6343     0.0000 
   C  17    4.8293     4.5312     2.6412     1.6284     0.0000 
   O  18    4.9343     4.8606     3.2380     2.3760     0.7504     0.0000 




ATOMIC CHARGES
   N   1   -0.2511392418
   C   2    0.2421837270
   C   3    0.3546936522
   N   4   -0.1511111105
   C   5    0.1165847272
   C   6    0.2337568711
   C   7    0.2149667869
   O   8   -0.3304847206
   C   9    0.3120569040
   C  10    0.2161634576
   C  11    0.1830582906
   O  12   -0.2442810565
   O  13   -0.2625208979
   F  14   -0.1974755714
   O  15   -0.2155013537
   O  16   -0.2175319369
   C  17    0.2141899217
   O  18   -0.2176084488


BOND ANGLES
   2    1    3   C3  Nar  Car    120.701
   2    1    5   C3  Nar  Car    119.285
   3    1    5  Car  Nar  Car    120.014
   1    2    6  Nar   C3   C3    126.444
   1    2    8  Nar   C3   O3    125.384
   6    2    8   C3   C3   O3    108.172
   1    3    4  Nar  Car  Nar    120.701
   1    3   12  Nar  Car   O2    119.387
   4    3   12  Nar  Car   O2    119.912
   3    4    9  Car  Nar  Car    119.603
   1    5    7  Nar  Car  Car    119.285
   2    6   10   C3   C3   C3    107.723
   2    6   15   C3   C3   O3    125.724
  10    6   15   C3   C3   O3    126.553
   5    7    9  Car  Car  Car    120.888
   5    7   14  Car  Car    F    119.285
   9    7   14  Car  Car    F    119.827
   2    8   11   C3   O3   C3    107.552
   7    9   13  Car  Car   O2    120.759
   4    9    7  Nar  Car  Car    119.510
   4    9   13  Nar  Car   O2    119.732
   6   10   16   C3   C3   O3    125.829
   6   10   11   C3   C3   C3    108.297
  11   10   16   C3   C3   O3    125.874
   8   11   17   O3   C3   C3    125.724
   8   11   10   O3   C3   C3    108.256
  10   11   17   C3   C3   C3    126.020
  11   17   18   C3   C3   O3    120.037


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    5      0.026
   8    2    1    3      0.026
   8    2    1    5    179.974
   4    3    1    2    179.974
   4    3    1    5      0.026
  12    3    1    2      0.026
  12    3    1    5    179.974
   9    4    3    1      0.026
   9    4    3   12    179.974
   7    5    1    2    179.974
   7    5    1    3      0.026
  10    6    2    1    179.974
  10    6    2    8      0.026
  15    6    2    1      0.026
  15    6    2    8    179.974
   9    7    5    1      0.026
  14    7    5    1    179.974
  11    8    2    1    179.974
  11    8    2    6      0.026
  13    9    7    5    179.974
  13    9    7   14      0.026
   4    9    7    5      0.026
   4    9    7   14    179.974
  16   10    6    2    179.974
  16   10    6   15      0.026
  11   10    6    2      0.026
  11   10    6   15    179.974
  17   11    8    2    179.974
  10   11    8    2      0.026
   8   11   17   18      0.026
  10   11   17   18    179.974
   7    9    4    3      0.026
  13    9    4    3    179.974
   8   11   10    6      0.026
   8   11   10   16    179.974
  17   11   10    6    179.974
  17   11   10   16      0.026


CHIRAL ATOMS
  17   11   10   16      0.026
  17   11   10   16      0.026
  17   11   10   16      0.026
  17   11   10   16      0.026