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1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione ID: AN-14718
CAS:784-71-4
Supplier:AN PharmaTech Co Ltd

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SMILES:F[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(=O)[nH]c(=O)cc1)CO	150851
FORMULA: C9H11FN2O5
MASS: 246.1924
EXACT MASS: 246.0651997
INTERATOMIC DISTANCES

              F   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    2.5876     0.0000 
   O   3    2.1756     2.5876     0.0000 
   O   4    4.3155     2.0885     3.1718     0.0000 
   O   5    1.2790     2.9964     3.4092     5.0069     0.0000 
   O   6    4.6266     4.6586     6.4403     6.5814     3.4641     0.0000 
   N   7    2.1756     1.7820     3.5201     3.8542     1.7321     3.0000 
   N   8    2.9190     3.5129     4.8529     5.5850     1.7320     1.7321 
   C   9    1.7821     1.6180     1.0000     2.6767     2.8220     5.5613 
   C  10    1.0001     1.6180     1.7819     3.3317     1.8366     4.6586 
   C  11    1.7820     1.0000     2.5876     3.0608     2.0000     4.0000 
   C  12    2.5876     0.9999     1.7820     1.7320     3.3805     5.5613 
   C  13    3.5202     1.7819     2.1756     1.0000     4.3772     6.4403 
   C  14    1.9907     2.6767     3.8542     4.7650     1.0000     2.6458 
   C  15    3.1718     2.0886     4.3154     3.9359     2.6458     2.6457 
   C  16    3.8233     3.0883     5.2267     4.8968     3.0000     1.7320 
   C  17    3.7213     3.6779     5.4573     5.6416     2.6458     1.0000 
   H  18    1.3313     2.1026     0.9063     3.2937     2.5192     5.5543 
   H  19    2.3794     0.9064     3.0989     2.9522     2.3948     3.7593 
   H  20    0.9064     2.1027     1.3312     3.5453     2.0833     5.1787 
   H  21    3.0989     0.9063     2.3793     1.2583     3.7487     5.5543 
   H  22    3.2752     2.0508     1.6410     1.5968     4.2686     6.6408 
   H  23    4.0269     2.3985     2.4210     1.0812     4.9496     7.0570 
   H  24    2.7929     2.8490     0.6200     2.9940     4.0156     6.9645 
   H  25    3.4874     1.8744     4.3266     3.4999     3.1408     3.1407 
   H  26    3.1093     4.0544     5.1674     6.1387     1.8397     1.8397 
   H  27    4.4209     3.4493     5.7277     5.0988     3.6200     1.8396 
   H  28    4.8764     2.7083     3.5567     0.6200     5.6113     7.1750 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.7321     0.0000 
   C   9    2.5876     4.0554     0.0000 
   C  10    1.7820     3.0883     0.9999     0.0000 
   C  11    1.0000     2.6458     1.6180     1.0000     0.0000 
   C  12    2.5876     4.2636     1.0000     1.6180     1.6180     0.0000 
   C  13    3.5201     5.2267     1.7820     2.5876     2.5876     1.0000 
   C  14    1.0001     1.0000     3.0608     2.0886     1.7321     3.3317 
   C  15    1.0000     2.0000     3.3317     2.6767     1.7320     3.0608 
   C  16    1.7320     1.7321     4.2636     3.5129     2.6457     4.0553 
   C  17    2.0000     1.0001     4.5663     3.6779     3.0000     4.5663 
   H  18    2.6832     3.9495     0.6200     0.9063     1.8210     1.6153 
   H  19    0.9063     2.6332     2.1026     1.6153     0.6200     1.8211 
   H  20    2.3794     3.5468     0.9064     0.6201     1.6153     1.8211 
   H  21    2.6832     4.4104     1.6152     2.1025     1.8210     0.6199 
   H  22    3.6583     5.3067     1.4933     2.4336     2.6728     1.0812 
   H  23    4.1398     5.8438     2.2510     3.1347     3.2016     1.5968 
   H  24    4.0024     5.4143     1.4158     2.3266     3.0316     1.9172 
   H  25    1.4157     2.6200     3.3268     2.8378     1.8396     2.8743 
   H  26    2.2901     0.6200     4.4416     3.4493     3.1408     4.7469 
   H  27    2.2900     2.2901     4.7469     4.0543     3.1407     4.4415 
   H  28    4.4733     6.2035     3.1840     3.9055     3.6771     2.2900 

              C  13      C  14      C  15      C  16      C  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.3155     0.0000 
   C  15    3.8542     1.7321     0.0000 
   C  16    4.8529     2.0000     1.0000     0.0000 
   C  17    5.4573     1.7321     1.7320     1.0000     0.0000 
   H  18    2.3794     2.9521     3.5452     4.4104     4.5790     0.0000 
   H  19    2.6833     1.8700     1.2582     2.2406     2.7741     2.3961 
   H  20    2.6833     2.5548     3.2937     4.1111     4.2150     0.4370 
   H  21    0.9063     3.5452     2.9521     3.9495     4.5790     2.2247 
   H  22    0.6200     4.3499     4.1332     5.1306     5.6446     2.0215 
   H  23    0.6200     4.9257     4.4611     5.4579     6.0756     2.8068 
   H  24    2.0051     4.4143     4.7308     5.6753     5.9729     1.4982 
   H  25    3.5518     2.2901     0.6200     1.4158     2.2900     3.6405 
   H  26    5.7277     1.4158     2.6200     2.2901     1.4158     4.2617 
   H  27    5.1674     2.6200     1.4158     0.6200     1.4157     4.9401 
   H  28    1.4157     5.3846     4.5297     5.4779     6.2442     3.7902 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.2248     0.0000 
   H  21    1.8120     2.3961     0.0000 
   H  22    2.9012     2.3875     1.3137     0.0000 
   H  23    3.3017     3.1557     1.5091     0.7971     0.0000 
   H  24    3.4841     1.9324     2.4418     1.3975     2.0945     0.0000 
   H  25    1.2445     3.4549     2.6478     3.9082     4.1363     4.6750 
   H  26    3.1964     3.8394     4.9401     5.7636     6.3396     5.7523 
   H  27    2.6677     4.6627     4.2617     5.4992     5.7556     6.1463 
   H  28    3.5704     4.0744     1.8651     1.9203     1.2045     3.2867 

              H  25      H  26      H  27      H  28
              --------------------------------------------
   H  25    0.0000 
   H  26    3.2400     0.0000 
   H  27    1.6200     2.8059     0.0000 
   H  28    4.0710     6.7585     5.6521     0.0000 



ATOMIC CHARGES
   F   1   -0.2379856693
   O   2   -0.3453005684
   O   3   -0.3861178365
   O   4   -0.3923663011
   O   5   -0.2463952547
   O   6   -0.2677275257
   N   7   -0.2711678337
   N   8   -0.2748690398
   C   9    0.1186638507
   C  10    0.1739956743
   C  11    0.1730679507
   C  12    0.1128783890
   C  13    0.0730077419
   C  14    0.3314033599
   C  15    0.0170691678
   C  16    0.0192179210
   C  17    0.2539153496
   H  18    0.0650413502
   H  19    0.0869932156
   H  20    0.0724171134
   H  21    0.0646602436
   H  22    0.0583700468
   H  23    0.0583700468
   H  24    0.2100147308
   H  25    0.0812879102
   H  26    0.1734297423
   H  27    0.0686181947
   H  28    0.2095080299


BOND ANGLES
  11    2   12   C3   O3   C3    108.001
   9    3   24   C3   O3   HO    119.997
  13    4   28   C3   O3   HO    119.999
  11    7   14   C3  Nar  Car    119.998
  11    7   15   C3  Nar  Car    120.001
  14    7   15  Car  Nar  Car    120.001
  14    8   17  Car  Nar  Car    119.998
  14    8   26  Car  Nar   HC    120.002
  17    8   26  Car  Nar   HC    120.000
   3    9   10   O3   C3   C3    125.999
   3    9   12   O3   C3   C3    126.001
   3    9   18   O3   C3   HC     62.999
  10    9   12   C3   C3   C3    108.000
  10    9   18   C3   C3   HC     62.999
  12    9   18   C3   C3   HC    171.000
   1   10    9    F   C3   C3    126.004
   1   10   11    F   C3   C3    125.995
   1   10   20    F   C3   HC     62.997
   9   10   11   C3   C3   C3    108.001
   9   10   20   C3   C3   HC     63.007
  11   10   20   C3   C3   HC    171.008
   2   11    7   O3   C3  Nar    126.001
   2   11   10   O3   C3   C3    107.997
   2   11   19   O3   C3   HC     63.004
   7   11   10  Nar   C3   C3    126.001
   7   11   19  Nar   C3   HC     62.997
  10   11   19   C3   C3   HC    171.002
   2   12    9   O3   C3   C3    108.000
   2   12   13   O3   C3   C3    125.999
   2   12   21   O3   C3   HC     62.998
   9   12   13   C3   C3   C3    126.001
   9   12   21   C3   C3   HC    170.998
  13   12   21   C3   C3   HC     63.001
   4   13   12   O3   C3   C3    120.003
   4   13   22   O3   C3   HC    160.000
   4   13   23   O3   C3   HC     79.999
  12   13   22   C3   C3   HC     79.998
  12   13   23   C3   C3   HC    159.999
  22   13   23   HC   C3   HC     80.001
   5   14    7   O2  Car  Nar    120.001
   5   14    8   O2  Car  Nar    120.001
   7   14    8  Nar  Car  Nar    119.998
   7   15   16  Nar  Car  Car    120.001
   7   15   25  Nar  Car   HC    119.998
  16   15   25  Car  Car   HC    120.002
  15   16   17  Car  Car  Car    120.001
  15   16   27  Car  Car   HC    120.002
  17   16   27  Car  Car   HC    119.998
   6   17    8   O2  Car  Nar    119.998
   6   17   16   O2  Car  Car    120.001
   8   17   16  Nar  Car  Car    120.001


TORSION ANGLES
  12    2   11    7    179.974
  12    2   11   10      0.026
  12    2   11   19    179.974
  11    2   12    9      0.026
  11    2   12   13    179.974
  11    2   12   21    179.974
  10    9    3   24    179.974
  12    9    3   24      0.026
  18    9    3   24    179.974
  28    4   13   12    179.974
  28    4   13   22      0.026
  28    4   13   23      0.026
   2   11    7   14    179.974
   2   11    7   15      0.026
  10   11    7   14      0.026
  10   11    7   15    179.974
  19   11    7   14    179.974
  19   11    7   15      0.026
  11    7   14    5      0.026
  11    7   14    8    179.974
  15    7   14    5    179.974
  15    7   14    8      0.026
  11    7   15   16    179.974
  11    7   15   25      0.026
  14    7   15   16      0.026
  14    7   15   25    179.974
  17    8   14    5    179.974
  17    8   14    7      0.026
  26    8   14    5      0.026
  26    8   14    7    179.974
  14    8   17    6    179.974
  14    8   17   16      0.026
  26    8   17    6      0.026
  26    8   17   16    179.974
   3    9   10    1      0.026
   3    9   10   11    179.974
   3    9   10   20      0.026
  12    9   10    1    179.974
  12    9   10   11      0.026
  12    9   10   20    179.974
  18    9   10    1      0.026
  18    9   10   11    179.974
  18    9   10   20      0.026
   3    9   12    2    179.974
   3    9   12   13      0.026
   3    9   12   21    179.974
  10    9   12    2      0.026
  10    9   12   13    179.974
  10    9   12   21      0.026
  18    9   12    2      0.026
  18    9   12   13    179.974
  18    9   12   21      0.026
   1   10   11    2    179.974
   1   10   11    7      0.026
   1   10   11   19    179.974
   9   10   11    2      0.026
   9   10   11    7    179.974
   9   10   11   19      0.026
  20   10   11    2      0.026
  20   10   11    7    179.974
  20   10   11   19      0.026
   2   12   13    4      0.026
   2   12   13   22    179.974
   2   12   13   23    179.974
   9   12   13    4    179.974
   9   12   13   22      0.026
   9   12   13   23      0.026
  21   12   13    4      0.026
  21   12   13   22    179.974
  21   12   13   23    179.974
   7   15   16   17      0.026
   7   15   16   27    179.974
  25   15   16   17    179.974
  25   15   16   27      0.026
  15   16   17    6    179.974
  15   16   17    8      0.026
  27   16   17    6      0.026
  27   16   17    8    179.974


CHIRAL ATOMS
  27   16   17    8    179.974
  27   16   17    8    179.974
  27   16   17    8    179.974
  27   16   17    8    179.974