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9-(2-Deoxy-2-fluoroarabinofuranosyl)guanine
9-(2-Deoxy-2-fluoroarabinofuranosyl)guanine ID: API-28908
CAS:103884-98-6
Supplier:APIchem

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SMILES:F[C@@H]1C(O[C@@H]([C@H]1O)CO)n1c2[nH]c(nc(=O)c2nc1)N	ChemMol.com
FORMULA: C10H12FN5O4
MASS: 285.2318
EXACT MASS: 285.0873321
INTERATOMIC DISTANCES

              F   1      O   2      O   3      O   4      O   5      N   6
              ------------------------------------------------------------------
   F   1    0.0000 
   O   2    2.5876     0.0000 
   O   3    2.1755     2.5876     0.0000 
   O   4    4.3155     2.0885     3.1719     0.0000 
   O   5    4.5984     5.0948     6.5810     7.1060     0.0000 
   N   6    2.1756     1.7821     3.5201     3.8542     3.3392     0.0000 
   N   7    1.6564     3.2530     3.7896     5.2964     2.9999     1.8227 
   N   8    3.6051     3.1330     5.1296     5.0286     2.1708     1.6095 
   N   9    3.3725     4.7005     5.5212     6.7886     1.7320     2.9791 
   N  10    2.7572     4.9227     4.8642     6.9049     3.4640     3.5497 
   C  11    1.7820     1.0000     2.5876     3.0608     4.3137     1.0000 
   C  12    1.0000     1.6180     1.7820     3.3318     4.8168     1.7820 
   C  13    1.7820     1.6180     1.0000     2.6767     5.7784     2.5876 
   C  14    2.5876     1.0000     1.7820     1.7321     5.9239     2.5876 
   C  15    3.5201     1.7820     2.1755     1.0001     6.8567     3.5202 
   C  16    2.0932     2.7055     3.9417     4.7938     2.6456     0.9941 
   C  17    3.1696     2.1714     4.3632     4.0345     3.1209     0.9940 
   C  18    3.0846     3.3830     4.9179     5.4278     1.7320     1.6117 
   C  19    3.6072     4.3397     5.6268     6.4043     0.9999     2.5576 
   C  20    2.4980     4.2391     4.6728     6.2932     2.6456     2.6955 
   H  21    1.3313     1.6153     2.6832     3.6491     3.9588     0.9063 
   H  22    0.9063     2.1026     1.3313     3.5452     5.2700     2.3793 
   H  23    1.3313     2.1027     0.9063     3.2937     5.6768     2.6833 
   H  24    3.0990     0.9063     2.3795     1.2582     6.0011     2.6833 
   H  25    4.0268     2.3986     2.4210     1.0813     7.4766     4.1398 
   H  26    3.2751     2.0508     1.6410     1.5968     6.9865     3.6583 
   H  27    3.5688     2.0634     4.4875     3.6989     3.6187     1.4478 
   H  28    2.7929     2.8490     0.6200     2.9940     7.1431     4.0024 
   H  29    1.0885     3.1062     3.2592     5.0654     3.6199     1.9871 
   H  30    4.8764     2.7084     3.5568     0.6200     7.7143     4.4734 
   H  31    3.3755     5.5170     5.4698     7.5143     3.5191     4.0828 
   H  32    2.4584     4.8269     4.4634     6.7293     4.0130     3.6368 

              N   7      N   8      N   9      N  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    2.5575     0.0000 
   N   9    1.7320     2.6955     0.0000 
   N  10    1.7321     3.9773     1.7320     0.0000 
   C  11    2.2533     2.5788     3.7443     3.9283     0.0000 
   C  12    2.1934     3.3813     3.8945     3.6241     1.0000     0.0000 
   C  13    3.1861     4.1897     4.8941     4.5294     1.6180     1.0000 
   C  14    3.7037     4.0687     5.3135     5.2321     1.6180     1.6180 
   C  15    4.7032     4.9130     6.3085     6.2115     2.5876     2.5876 
   C  16    1.0000     1.6117     1.9999     2.6458     1.7764     2.1714 
   C  17    2.5961     0.9941     3.2999     4.2473     1.7763     2.7053 
   C  18    1.7320     0.9941     1.7320     3.0000     2.5818     3.1377 
   C  19    2.0000     1.8227     1.0000     2.6458     3.4783     3.8823 
   C  20    1.0000     2.9791     0.9999     1.0001     3.2418     3.1682 
   H  21    1.6481     2.4825     3.2109     3.3089     0.6200     0.9063 
   H  22    2.4626     3.9621     4.1945     3.6627     1.6152     0.6200 
   H  23    2.8980     4.2865     4.6296     4.0794     1.8211     0.9064 
   H  24    4.0414     4.0186     5.5639     5.6482     1.8211     2.1027 
   H  25    5.2845     5.5260     6.9098     6.7523     3.2016     3.1347 
   H  26    4.6184     5.1496     6.2873     6.0208     2.6728     2.4337 
   H  27    3.1772     1.4479     3.9139     4.8520     1.9693     2.9612 
   H  28    4.3950     5.6055     6.1269     5.4823     3.0316     2.3266 
   H  29    0.6200     3.0271     2.2900     1.8397     2.1272     1.8040 
   H  30    5.9065     5.6226     7.4081     7.5001     3.6771     3.9055 
   H  31    2.2901     4.3463     1.8396     0.6200     4.5193     4.2425 
   H  32    1.8397     4.2943     2.2900     0.6200     3.8574     3.4025 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   C  15    1.7820     1.0000     0.0000 
   C  16    3.1373     3.3841     4.3633     0.0000 
   C  17    3.3840     3.1373     3.9416     1.6094     0.0000 
   C  18    4.0729     4.1925     5.1318     0.9999     1.6094     0.0000 
   C  19    4.8625     5.0959     6.0594     1.7320     2.5962     1.0000 
   C  20    4.1480     4.7020     5.7009     1.7320     3.2999     1.9999 
   H  21    1.8210     2.1026     3.0989     1.3264     1.8807     2.2534 
   H  22    0.9063     1.8210     2.6832     2.6471     3.3199     3.6391 
   H  23    0.6200     1.6153     2.3793     3.0411     3.5817     4.0237 
   H  24    1.6153     0.6201     0.9064     3.5818     3.0410     4.2882 
   H  25    2.2510     1.5967     0.6200     4.9755     4.5501     5.7515 
   H  26    1.4934     1.0812     0.6199     4.4103     4.2121     5.2546 
   H  27    3.4887     3.0632     3.7514     2.2072     0.6200     2.2072 
   H  28    1.4157     1.9171     2.0049     4.4980     4.7875     5.4590 
   H  29    2.7555     3.3977     4.3840     1.4158     2.8920     2.2900 
   H  30    3.1840     2.2901     1.4158     5.4137     4.6295     6.0429 
   H  31    5.1491     5.8482     6.8296     3.1408     4.7155     3.3532 
   H  32    4.2375     5.0201     5.9735     2.8292     4.4344     3.3532 

              C  19      C  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7320     0.0000 
   H  21    3.0584     2.6441     0.0000 
   H  22    4.3055     3.3701     1.4808     0.0000 
   H  23    4.7206     3.8067     1.8120     0.4371     0.0000 
   H  24    5.2396     5.0396     2.3961     2.3962     2.2248     0.0000 
   H  25    6.6766     6.2787     3.6990     3.1556     2.8067     1.5091 
   H  26    6.1361     5.6009     3.0966     2.3875     2.0214     1.3137 
   H  27    3.1773     3.9139     2.2404     3.5804     3.7824     2.8468 
   H  28    6.2013     5.2887     3.2082     1.9325     1.4981     2.4418 
   H  29    2.6200     1.4158     1.5109     1.9550     2.3913     3.8092 
   H  30    7.0216     6.9045     4.2607     4.0744     3.7901     1.8650 
   H  31    2.8292     1.4158     3.9017     4.2804     4.6950     6.2567 
   H  32    3.1408     1.4158     3.2427     3.3427     3.7365     5.4844 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.7970     0.0000 
   H  27    4.3369     4.1025     0.0000 
   H  28    2.0944     1.3975     4.8482     0.0000 
   H  29    4.9386     4.2302     3.4233     3.8739     0.0000 
   H  30    1.2046     1.9203     4.2678     3.2867     5.6605     0.0000 
   H  31    7.3719     6.6408     5.3296     6.0865     2.4522     8.1119 
   H  32    6.4851     5.7284     5.0166     5.0741     1.7321     7.3080 

              H  31      H  32
              ----------------------
   H  31    0.0000 
   H  32    1.0739     0.0000 



ATOMIC CHARGES
   F   1   -0.2379862813
   O   2   -0.3453460705
   O   3   -0.3861178391
   O   4   -0.3923663011
   O   5   -0.2633376031
   N   6   -0.2866230974
   N   7   -0.3121620745
   N   8   -0.2285653893
   N   9   -0.1756150157
   N  10   -0.3288541488
   C  11    0.1717368701
   C  12    0.1739510925
   C  13    0.1186632424
   C  14    0.1128776454
   C  15    0.0730077388
   C  16    0.1483237063
   C  17    0.1004393846
   C  18    0.1720887385
   C  19    0.3021270460
   C  20    0.1952258686
   H  21    0.0869488636
   H  22    0.0724165296
   H  23    0.0650413478
   H  24    0.0646602407
   H  25    0.0583700468
   H  26    0.0583700468
   H  27    0.1029989762
   H  28    0.2100147308
   H  29    0.1700018916
   H  30    0.2095080299
   H  31    0.1451008920
   H  32    0.1451008920


BOND ANGLES
  11    2   14   C3   O3   C3    108.000
  13    3   28   C3   O3   HO    119.994
  15    4   30   C3   O3   HO    119.993
  11    6   16   C3  Nar  Car    125.957
  11    6   17   C3  Nar  Car    125.947
  16    6   17  Car  Nar  Car    108.096
  16    7   20  Car  Nar  Car    119.999
  16    7   29  Car  Nar   HC    120.001
  20    7   29  Car  Nar   HC    120.001
  17    8   18  Car  Nar  Car    108.092
  19    9   20  Car  Nar  Car    120.006
  20   10   31  Car  Npl   HC    120.000
  20   10   32  Car  Npl   HC    119.998
  31   10   32   HC  Npl   HC    120.002
   2   11    6   O3   C3  Nar    126.004
   2   11   12   O3   C3   C3    108.000
   2   11   21   O3   C3   HC    170.996
   6   11   12  Nar   C3   C3    125.996
   6   11   21  Nar   C3   HC     63.000
  12   11   21   C3   C3   HC     62.996
   1   12   11    F   C3   C3    126.006
   1   12   13    F   C3   C3    125.997
   1   12   22    F   C3   HC     62.997
  11   12   13   C3   C3   C3    107.997
  11   12   22   C3   C3   HC    170.997
  13   12   22   C3   C3   HC     63.000
   3   13   12   O3   C3   C3    125.998
   3   13   14   O3   C3   C3    125.998
   3   13   23   O3   C3   HC     62.994
  12   13   14   C3   C3   C3    108.004
  12   13   23   C3   C3   HC     63.004
  14   13   23   C3   C3   HC    171.008
   2   14   13   O3   C3   C3    107.999
   2   14   15   O3   C3   C3    126.000
   2   14   24   O3   C3   HC     62.995
  13   14   15   C3   C3   C3    126.001
  13   14   24   C3   C3   HC    170.994
  15   14   24   C3   C3   HC     63.005
   4   15   14   O3   C3   C3    119.995
   4   15   25   O3   C3   HC     80.002
   4   15   26   O3   C3   HC    160.004
  14   15   25   C3   C3   HC    160.003
  14   15   26   C3   C3   HC     80.001
  25   15   26   HC   C3   HC     80.002
   6   16    7  Nar  Car  Nar    132.144
   6   16   18  Nar  Car  Car    107.855
   7   16   18  Nar  Car  Car    120.001
   6   17    8  Nar  Car  Nar    108.101
   6   17   27  Nar  Car   HC    125.951
   8   17   27  Nar  Car   HC    125.948
   8   18   16  Nar  Car  Car    107.855
   8   18   19  Nar  Car  Car    132.139
  16   18   19  Car  Car  Car    120.006
   5   19    9   O2  Car  Nar    120.006
   5   19   18   O2  Car  Car    120.006
   9   19   18  Nar  Car  Car    119.989
   7   20    9  Nar  Car  Nar    120.001
   7   20   10  Nar  Car  Npl    120.001
   9   20   10  Nar  Car  Npl    119.998


TORSION ANGLES
  14    2   11    6    179.974
  14    2   11   12      0.026
  14    2   11   21      0.026
  11    2   14   13      0.026
  11    2   14   15    179.974
  11    2   14   24    179.974
  12   13    3   28    179.974
  14   13    3   28      0.026
  23   13    3   28    179.974
  30    4   15   14    179.974
  30    4   15   25      0.026
  30    4   15   26      0.026
  16    6   11    2    179.974
  16    6   11   12      0.026
  16    6   11   21      0.026
  17    6   11    2      0.026
  17    6   11   12    179.974
  17    6   11   21    179.974
  11    6   16    7      0.026
  11    6   16   18    179.974
  17    6   16    7    179.974
  17    6   16   18      0.026
  11    6   17    8    179.974
  11    6   17   27      0.026
  16    6   17    8      0.026
  16    6   17   27    179.974
  20    7   16    6    179.974
  20    7   16   18      0.026
  29    7   16    6      0.026
  29    7   16   18    179.974
  16    7   20    9      0.026
  16    7   20   10    179.974
  29    7   20    9    179.974
  29    7   20   10      0.026
  18    8   17    6      0.026
  18    8   17   27    179.974
  17    8   18   16      0.026
  17    8   18   19    179.974
  20    9   19    5    179.974
  20    9   19   18      0.026
  19    9   20    7      0.026
  19    9   20   10    179.974
  31   10   20    7    179.974
  31   10   20    9      0.026
  32   10   20    7      0.026
  32   10   20    9    179.974
   2   11   12    1    179.974
   2   11   12   13      0.026
   2   11   12   22      0.026
   6   11   12    1      0.026
   6   11   12   13    179.974
   6   11   12   22    179.974
  21   11   12    1      0.026
  21   11   12   13    179.974
  21   11   12   22    179.974
   1   12   13    3      0.026
   1   12   13   14    179.974
   1   12   13   23      0.026
  11   12   13    3    179.974
  11   12   13   14      0.026
  11   12   13   23    179.974
  22   12   13    3      0.026
  22   12   13   14    179.974
  22   12   13   23      0.026
   3   13   14    2    179.974
   3   13   14   15      0.026
   3   13   14   24    179.974
  12   13   14    2      0.026
  12   13   14   15    179.974
  12   13   14   24      0.026
  23   13   14    2      0.026
  23   13   14   15    179.974
  23   13   14   24      0.026
   2   14   15    4      0.026
   2   14   15   25    179.974
   2   14   15   26    179.974
  13   14   15    4    179.974
  13   14   15   25      0.026
  13   14   15   26      0.026
  24   14   15    4      0.026
  24   14   15   25    179.974
  24   14   15   26    179.974
   6   16   18    8      0.026
   6   16   18   19    179.974
   7   16   18    8    179.974
   7   16   18   19      0.026
   8   18   19    5      0.026
   8   18   19    9    179.974
  16   18   19    5    179.974
  16   18   19    9      0.026


CHIRAL ATOMS
  16   18   19    9      0.026
  16   18   19    9      0.026
  16   18   19    9      0.026
  16   18   19    9      0.026