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1,2,3-tri-O-acetyl-5-Deoxy-beta-D-ribose
1,2,3-tri-O-acetyl-5-Deoxy-beta-D-ribose ID: B187182
CAS:62211-93-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C1([C@@H](O[C@@H]([C@@H]1OC(=O)C)C)OC(=O)C)OC(=O)C	
FORMULA: C11H16O7
MASS: 260.2405
EXACT MASS: 260.0896029
INTERATOMIC DISTANCES

              C   1      C   2      C   3      O   4      C   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8270     0.0000 
   C   3    0.8296     1.3426     0.0000 
   O   4    1.3356     0.8269     1.3386     0.0000 
   C   5    1.3422     1.3445     0.8300     0.8294     0.0000 
   O   6    1.6455     0.8293     1.9877     0.8183     1.6402     0.0000 
   O   7    0.8167     1.6344     1.1011     2.1083     1.8879     2.4596 
   O   8    1.2240     1.9831     0.8167     2.1438     1.6108     2.7268 
   C   9    2.0854     1.3059     2.6361     1.6305     2.4303     0.8277 
   C  10    1.2959     1.9369     1.8673     2.6133     2.5870     2.7390 
   C  11    1.9764     2.6415     1.3101     2.5839     1.8544     3.2904 
   O  12    2.9064     2.1030     3.3970     2.2391     3.0682     1.4378 
   O  13    2.6639     3.3950     2.0968     3.3993     2.6773     4.0844 
   O  14    2.0887     2.7660     2.5287     3.4213     3.3109     3.5684 
   C  15    1.9003     1.5095     1.6239     0.6845     0.8292     1.3363 
   C  16    2.0070     1.4520     2.7381     2.0924     2.7790     1.4341 
   C  17    2.2749     2.7366     1.4561     2.4195     1.5945     3.2148 
   C  18    1.4442     1.7328     2.2283     2.5373     2.7707     2.4069 

              O   7      O   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    0.8296     0.0000 
   C   9    2.8351     3.2834     0.0000 
   C  10    0.8157     1.6173     2.8845     0.0000 
   C  11    1.6540     0.8299     3.9428     2.4144     0.0000 
   O  12    3.6683     4.0855     0.8358     3.7078     4.7067     0.0000 
   O  13    2.1523     1.4408     4.7009     2.7828     0.8231     5.4846 
   O  14    1.4289     2.0534     3.6795     0.8299     2.7258     4.4906 
   C  15    2.5939     2.4284     2.1578     3.1962     2.6647     2.6125 
   C  16    2.6034     3.2233     0.8221     2.4271     3.9800     1.4332 
   C  17    2.2311     1.4373     3.9675     3.0414     0.8367     4.6514 
   C  18    1.4252     2.2481     2.3285     0.8309     3.0768     3.1064 

              O  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    2.8596     0.0000 
   C  15    3.4844     3.9767     0.0000 
   C  16    4.6634     3.1511     2.7260     0.0000 
   C  17    1.4341     3.4733     2.2828     4.1727     0.0000 
   C  18    3.5463     1.4351     3.1985     1.7256     3.5886     0.0000 




ATOMIC CHARGES
   C   1    0.2802578141
   C   2    0.3350667694
   C   3    0.2417797562
   O   4   -0.3163825959
   C   5    0.1627594743
   O   6   -0.4205884071
   O   7   -0.4416906529
   O   8   -0.4456646488
   C   9    0.3194347888
   C  10    0.3177504677
   C  11    0.3176305478
   O  12   -0.2500234178
   O  13   -0.2500889948
   O  14   -0.2500872748
   C  15    0.0361872259
   C  16    0.1212643967
   C  17    0.1211964880
   C  18    0.1211982631


BOND ANGLES
   2    1    3   C3   C3   C3    108.270
   2    1    7   C3   C3   O3    167.784
   3    1    7   C3   C3   O3     83.946
   1    2    4   C3   C3   O3    107.707
   1    2    6   C3   C3   O3    166.920
   4    2    6   O3   C3   O3     59.214
   1    3    5   C3   C3   C3    107.938
   1    3    8   C3   C3   O3     96.054
   5    3    8   C3   C3   O3    156.007
   2    4    5   C3   O3   C3    108.538
   3    5   15   C3   C3   C3    156.298
   3    5    4   C3   C3   O3    107.547
   4    5   15   O3   C3   C3     48.751
   2    6    9   C3   O3   C2    104.012
   1    7   10   C3   O3   C2    105.101
   3    8   11   C3   O3   C2    105.430
   6    9   12   O3   C2   O2    119.605
   6    9   16   O3   C2   C3    120.740
  12    9   16   O2   C2   C3    119.654
   7   10   14   O3   C2   O2    120.531
   7   10   18   O3   C2   C3    119.899
  14   10   18   O2   C2   C3    119.570
   8   11   13   O3   C2   O2    121.295
   8   11   17   O3   C2   C3    119.169
  13   11   17   O2   C2   C3    119.537


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


CHIRAL ATOMS
   2    4    5   15    179.974
   2    4    5   15    179.974
   2    4    5   15    179.974
   2    4    5   15    179.974