Sign In Join Free

Products Information

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol ID: AN-8211
CAS:16373-93-6
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O1[C@@H](n2c3ncnc(N)c3nc2)C[C@H](O)[C@H]1CO	13730
FORMULA: C10H13N5O3
MASS: 251.2419
EXACT MASS: 251.1018393
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.5876     0.0000 
   O   3    2.6766     1.9908     0.0000 
   N   4    1.7821     3.5202     4.3155     0.0000 
   N   5    3.3814     4.9130     5.9104     1.6095     0.0000 
   N   6    2.1935     4.7032     4.7679     1.8228     2.5577     0.0000 
   N   7    3.8947     6.3086     6.4995     2.9792     2.6956     1.7320 
   N   8    4.8170     6.8567     7.4922     3.3393     2.1709     3.0000 
   C   9    1.0000     2.5877     3.3318     1.0000     2.5788     2.2532 
   C  10    1.6179     1.0001     2.0885     2.5876     4.0687     3.7037 
   C  11    1.6180     1.7820     3.0608     1.7820     3.1329     3.2529 
   C  12    1.0000     1.7821     1.7320     2.5876     4.1898     3.1861 
   C  13    1.7819     2.1755     1.0000     3.5201     5.1296     3.7896 
   C  14    2.1714     4.3633     4.8466     0.9941     1.6118     1.0000 
   C  15    2.7054     3.9416     5.0677     0.9940     0.9941     2.5962 
   C  16    3.1378     5.1319     5.7985     1.6117     0.9942     1.7320 
   C  17    3.8823     6.0594     6.5575     2.5576     1.8228     2.0000 
   C  18    3.1683     5.7009     5.6666     2.6956     2.9792     1.0000 
   H  19    1.6153     2.6833     3.7514     0.9064     2.2490     2.5800 
   H  20    2.1026     0.9063     2.5548     2.6833     4.0187     4.0414 
   H  21    2.0014     2.2973     3.6807     1.5351     2.6539     3.2347 
   H  22    2.1989     1.5351     3.1768     2.2971     3.4816     3.8592 
   H  23    0.9063     2.3794     1.8700     2.6833     4.2865     2.8979 
   H  24    2.2510     2.7118     1.0812     4.0269     5.6314     4.0760 
   H  25    1.4933     2.6442     1.5968     3.2751     4.8697     3.2899 
   H  26    2.9613     3.7514     5.0941     1.4478     1.4479     3.1774 
   H  27    3.0316     0.6200     2.5782     3.6990     4.9613     5.0559 
   H  28    3.1839     2.5599     0.6200     4.8764     6.4798     5.1930 
   H  29    3.4237     6.0030     5.7676     3.2152     3.5979     1.4157 
   H  30    5.2979     7.4212     7.9732     3.9013     2.7900     3.3533 
   H  31    4.9767     6.8358     7.6306     3.3657     1.9728     3.3533 

              N   7      N   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   N   8    1.7320     0.0000 
   C   9    3.7443     4.3137     0.0000 
   C  10    5.3135     5.9239     1.6180     0.0000 
   C  11    4.7005     5.0948     1.0000     1.0000     0.0000 
   C  12    4.8942     5.7785     1.6181     1.0000     1.6181     0.0000 
   C  13    5.5213     6.5810     2.5876     1.7819     2.5875     0.9999 
   C  14    2.0000     2.6457     1.7763     3.3841     2.7054     3.1373 
   C  15    3.3000     3.1210     1.7763     3.1372     2.1714     3.3841 
   C  16    1.7320     1.7320     2.5818     4.1925     3.3830     4.0730 
   C  17    1.0000     1.0000     3.4782     5.0959     4.3396     4.8625 
   C  18    1.0000     2.6457     3.2418     4.7019     4.2390     4.1480 
   H  19    3.8781     4.1897     0.6200     1.8210     0.9063     2.1027 
   H  20    5.5640     6.0012     1.8211     0.6200     0.9064     1.6153 
   H  21    4.5141     4.7115     1.1202     1.6116     0.6200     2.1990 
   H  22    5.2598     5.5364     1.6116     1.1202     0.6200     2.0014 
   H  23    4.6296     5.6768     1.8211     1.6153     2.1027     0.6200 
   H  24    5.7919     6.9641     3.1347     2.3986     3.2016     1.5967 
   H  25    5.0128     6.1670     2.4337     2.0508     2.6728     1.0812 
   H  26    3.9140     3.6188     1.9693     3.0632     2.0634     3.4888 
   H  27    6.5925     6.9955     2.8491     1.4158     1.9172     2.3266 
   H  28    6.9223     7.9943     3.9055     2.7083     3.6771     2.2900 
   H  29    1.4158     3.1407     3.6503     5.0136     4.6493     4.3614 
   H  30    1.8397     0.6200     4.8580     6.4745     5.6711     6.2761 
   H  31    2.2901     0.6201     4.3636     5.9424     5.0555     5.9012 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.9416     0.0000 
   C  15    4.3632     1.6095     0.0000 
   C  16    4.9179     1.0000     1.6095     0.0000 
   C  17    5.6267     1.7320     2.5962     1.0000     0.0000 
   C  18    4.6728     1.7320     3.3000     2.0000     1.7320     0.0000 
   H  19    3.0989     1.8809     1.3264     2.4839     3.4527     3.5224 
   H  20    2.3793     3.5818     3.0411     4.2883     5.2396     5.0396 
   H  21    3.1853     2.5244     1.6644     3.0470     4.0357     4.1792 
   H  22    2.8880     3.2598     2.4898     3.8574     4.8372     4.8387 
   H  23    0.9063     3.0410     3.5817     4.0237     4.7205     3.8067 
   H  24    0.6201     4.3518     4.9086     5.3447     5.9892     4.8906 
   H  25    0.6201     3.5578     4.1887     4.5527     5.1925     4.1302 
   H  26    4.4875     2.2073     0.6200     2.2073     3.1774     3.9140 
   H  27    2.7928     4.6094     3.9699     5.2951     6.2566     6.0555 
   H  28    1.4158     5.3520     5.6576     6.3212     7.0424     6.0502 
   H  29    4.7677     2.2900     3.8842     2.6199     2.2900     0.6200 
   H  30    7.0405     3.1407     3.7333     2.2900     1.4158     2.8292 
   H  31    6.7574     2.8292     2.9651     1.8397     1.4158     3.1408 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    1.8120     0.0000 
   H  21    0.6568     1.3911     0.0000 
   H  22    1.3909     0.6569     0.8297     0.0000 
   H  23    2.3961     2.2248     2.6295     2.5596     0.0000 
   H  24    3.6739     2.9893     3.7937     3.5076     1.3449     0.0000 
   H  25    3.0092     2.6708     3.2222     3.0826     0.6136     0.7971 
   H  26    1.3926     2.8468     1.4678     2.2310     3.7825     5.0663 
   H  27    2.8113     1.0286     2.3076     1.4801     2.9397     3.3317 
   H  28    4.3486     3.1692     4.2971     3.7954     2.3221     1.2046 
   H  29    3.9957     5.4031     4.6504     5.2614     3.9482     4.9092 
   H  30    4.7690     6.5771     5.3070     6.1284     6.1341     7.3926 
   H  31    4.1525     5.9553     4.6137     5.4433     5.8632     7.1808 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    4.3961     0.0000 
   H  27    3.2453     3.6871     0.0000 
   H  28    1.9203     5.7021     3.1228     0.0000 
   H  29    4.1887     4.4924     6.4007     6.0983     0.0000 
   H  30    6.5971     4.2377     7.5794     8.4562     3.2380     0.0000 
   H  31    6.3869     3.3884     6.9199     8.1591     3.6739     1.0739 

              H  31
              -----------
   H  31    0.0000 



ATOMIC CHARGES
   O   1   -0.3483931767
   O   2   -0.3889985014
   O   3   -0.3923676656
   N   4   -0.2878822447
   N   5   -0.2305635997
   N   6   -0.2159186529
   N   7   -0.2188452217
   N   8   -0.3413132466
   C   9    0.1407885843
   C  10    0.0876424877
   C  11    0.0213230824
   C  12    0.1100208549
   C  13    0.0729078112
   C  14    0.1673105197
   C  15    0.1003335475
   C  16    0.1472798052
   C  17    0.1471558977
   C  18    0.1204773198
   H  19    0.0839553831
   H  20    0.0621236941
   H  21    0.0334591404
   H  22    0.0334591404
   H  23    0.0645609259
   H  24    0.0583687389
   H  25    0.0583687389
   H  26    0.1029976447
   H  27    0.2098917864
   H  28    0.2095080230
   H  29    0.1048106877
   H  30    0.1437692477
   H  31    0.1437692477


BOND ANGLES
   9    1   12   C3   O3   C3    108.010
  10    2   27   C3   O3   HO    119.996
  13    3   28   C3   O3   HO    119.999
   9    4   14   C3  Nar  Car    125.944
   9    4   15   C3  Nar  Car    125.953
  14    4   15  Car  Nar  Car    108.103
  15    5   16  Car  Nar  Car    108.094
  14    6   18  Car  Nar  Car    119.999
  17    7   18  Car  Nar  Car    120.001
  17    8   30  Car  Npl   HC    120.002
  17    8   31  Car  Npl   HC    119.997
  30    8   31   HC  Npl   HC    120.001
   1    9    4   O3   C3  Nar    126.009
   1    9   11   O3   C3   C3    107.992
   1    9   19   O3   C3   HC    170.986
   4    9   11  Nar   C3   C3    125.998
   4    9   19  Nar   C3   HC     63.005
  11    9   19   C3   C3   HC     62.994
   2   10   11   O3   C3   C3    125.997
   2   10   12   O3   C3   C3    125.999
   2   10   20   O3   C3   HC     62.993
  11   10   12   C3   C3   C3    108.004
  11   10   20   C3   C3   HC     63.003
  12   10   20   C3   C3   HC    171.008
   9   11   10   C3   C3   C3    108.000
   9   11   21   C3   C3   HC     84.002
   9   11   22   C3   C3   HC    167.995
  10   11   21   C3   C3   HC    167.998
  10   11   22   C3   C3   HC     84.005
  21   11   22   HC   C3   HC     83.993
   1   12   10   O3   C3   C3    107.994
   1   12   13   O3   C3   C3    126.006
   1   12   23   O3   C3   HC     62.999
  10   12   13   C3   C3   C3    126.000
  10   12   23   C3   C3   HC    170.993
  13   12   23   C3   C3   HC     63.007
   3   13   12   O3   C3   C3    120.003
   3   13   24   O3   C3   HC     79.997
   3   13   25   O3   C3   HC    159.994
  12   13   24   C3   C3   HC    159.999
  12   13   25   C3   C3   HC     80.003
  24   13   25   HC   C3   HC     79.997
   4   14    6  Nar  Car  Nar    132.151
   4   14   16  Nar  Car  Car    107.848
   6   14   16  Nar  Car  Car    120.001
   4   15    5  Nar  Car  Nar    108.101
   4   15   26  Nar  Car   HC    125.951
   5   15   26  Nar  Car   HC    125.948
   5   16   14  Nar  Car  Car    107.854
   5   16   17  Nar  Car  Car    132.146
  14   16   17  Car  Car  Car    120.001
   7   17    8  Nar  Car  Npl    120.001
   7   17   16  Nar  Car  Car    119.999
   8   17   16  Npl  Car  Car    120.001
   6   18    7  Nar  Car  Nar    120.001
   6   18   29  Nar  Car   HC    119.998
   7   18   29  Nar  Car   HC    120.002


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


CHIRAL ATOMS
  14   16   17    8    179.974
  14   16   17    8    179.974
  14   16   17    8    179.974