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Arabinofuranosyluracil
Arabinofuranosyluracil ID: B184488
CAS:3083-77-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1([C@H]2C([C@H]([C@H](O2)CO)O)O)c(=O)[nH]c(=O)cc1	
FORMULA: C9H12N2O6
MASS: 244.2014
EXACT MASS: 244.0695361
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      O   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.4121     0.0000 
   C   3    0.7876     1.9647     0.0000 
   N   4    1.3701     2.7126     0.7958     0.0000 
   C   5    2.1876     0.7892     2.6629     3.4394     0.0000 
   O   6    1.1985     0.7959     1.4316     2.2266     1.2876     0.0000 
   C   7    0.7913     1.8922     1.3708     1.5851     2.6747     1.9236 
   C   8    2.4497     1.2846     2.7071     3.5022     0.7974     1.2919 
   C   9    1.9777     1.2811     2.0485     2.8284     1.2840     0.7955 
   C  10    1.3722     2.6605     1.5851     1.3708     3.4485     2.5707 
   C  11    1.5875     2.9976     1.3773     0.7918     3.7751     2.6927 
   O  12    1.3750     2.0424     0.7949     1.3743     2.5727     1.2950 
   O  13    2.3750     3.7847     2.0977     1.3701     4.5625     3.4648 
   O  14    2.8020     1.4099     3.3706     4.1224     0.7925     2.0559 
   O  15    3.2437     2.0590     3.4513     4.2406     1.4226     2.0678 
   C  16    2.4450     2.0553     2.2559     2.9485     2.0566     1.4191 
   O  17    2.3506     2.4330     1.9152     2.4682     2.6476     1.6614 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.0903     0.0000 
   C   9    2.7183     0.7957     0.0000 
   C  10    0.7958     3.8062     3.3455     0.0000 
   C  11    1.3793     3.9829     3.3929     0.7954     0.0000 
   O  12    2.0994     2.3809     1.6140     2.3799     2.1002     0.0000 
   O  13    2.0991     4.7567     4.1415     1.3722     0.7875     2.7443 
   O  14    3.1453     1.4151     2.0524     3.9404     4.3707     3.3497 
   O  15    3.8894     0.7994     1.4250     4.6042     4.7588     3.0319 
   C  16    3.2312     1.4159     0.7974     3.7477     3.6306     1.5831 
   O  17    3.1300     2.1271     1.3776     3.4958     3.2208     1.1289 

              O  13      O  14      O  15      C  16      O  17
              -------------------------------------------------------
   O  13    0.0000 
   O  14    5.1531     0.0000 
   O  15    5.5255     1.7303     0.0000 
   C  16    4.3157     2.7952     1.7348     0.0000 
   O  17    3.8274     3.4270     2.5260     0.7940     0.0000 



ATOMIC CHARGES
   N   1   -0.2534399585
   C   2    0.2421177960
   C   3    0.3545716268
   N   4   -0.1530498406
   C   5    0.2337559508
   O   6   -0.3304853385
   C   7    0.0869999606
   C   8    0.2161634535
   C   9    0.1830582874
   C  10    0.0814487691
   C  11    0.2846011929
   O  12   -0.2442827739
   O  13   -0.2650073037
   O  14   -0.2155013578
   O  15   -0.2175319369
   C  16    0.2141899217
   O  17   -0.2176084488


BOND ANGLES
   2    1    3   C3  Nar  Car    124.055
   2    1    7   C3  Nar  Car    115.441
   3    1    7  Car  Nar  Car    120.504
   1    2    5  Nar   C3   C3    166.655
   1    2    6  Nar   C3   O3     57.999
   5    2    6   C3   C3   O3    108.655
   1    3    4  Nar  Car  Nar    119.823
   1    3   12  Nar  Car   O2    120.654
   4    3   12  Nar  Car   O2    119.522
   3    4   11  Car  Nar  Car    120.344
   2    5    8   C3   C3   C3    108.133
   2    5   14   C3   C3   O3    126.101
   8    5   14   C3   C3   O3    125.766
   2    6    9   C3   O3   C3    107.231
   1    7   10  Nar  Car  Car    119.672
   5    8   15   C3   C3   O3    125.985
   5    8    9   C3   C3   C3    107.414
   9    8   15   C3   C3   O3    126.601
   6    9   16   O3   C3   C3    125.981
   6    9    8   O3   C3   C3    108.567
   8    9   16   C3   C3   C3    125.452
   7   10   11  Car  Car  Car    120.192
  10   11   13  Car  Car   O2    120.192
   4   11   10  Nar  Car  Car    119.464
   4   11   13  Nar  Car   O2    120.344
   9   16   17   C3   C3   O3    119.924


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


CHIRAL ATOMS
  16    9    8   15      0.026
  16    9    8   15      0.026
  16    9    8   15      0.026
  16    9    8   15      0.026