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2-hydroxy-6-(dimethoxymethyl)pyridine-3-carboxylic acid
2-hydroxy-6-(dimethoxymethyl)pyridine-3-carboxylic acid
ID: BP-11741
Supplier:BroadPharm

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SMILES:c1c(nc(c(c1)C(=O)O)O)C(OC)OC	
FORMULA: C9H11NO5
MASS: 213.1873
EXACT MASS: 213.0637225
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    1.0392     0.6000     0.0000 
   C   4    1.2000     1.0392     0.6000     0.0000 
   C   5    1.0392     1.2000     1.0392     0.6000     0.0000 
   C   6    0.6000     1.0392     1.2000     1.0392     0.6000     0.0000 
   C   7    1.0375     0.5980     1.0375     1.5855     1.7980     1.5856 
   O   8    1.1969     1.0357     1.5840     2.0749     2.1599     1.7969 
   O   9    1.5840     1.0357     1.1970     1.7969     2.1599     2.0749 
   C  10    1.7949     1.5820     2.0731     2.6099     2.7441     2.3949 
   C  11    1.7958     1.1958     1.0356     1.5843     2.0748     2.1593 
   O  12    1.7979     1.5854     1.0374     0.5979     1.0375     1.5855 
   C  13    1.5854     1.7979     1.5855     1.0375     0.5979     1.0374 
   O  14    1.7969     2.1599     2.0749     1.5839     1.0356     1.1969 
   O  15    2.0748     2.1598     1.7968     1.1969     1.0356     1.5839 

              C   7      O   8      O   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    0.5979     0.0000 
   O   9    0.5979     1.0356     0.0000 
   C  10    1.0356     0.5979     1.1958     0.0000 
   C  11    1.0356     1.5820     0.5980     1.7938     0.0000 
   O  12    2.0749     2.6099     2.1593     3.1105     1.7968     0.0000 
   C  13    2.3959     2.7441     2.7442     3.3332     2.6101     1.1980 
   O  14    2.7442     2.9938     3.1679     3.5917     3.1104     1.7959 
   O  15    2.7441     3.1678     2.9938     3.7380     2.7440     1.0375 

              C  13      O  14      O  15
              ---------------------------------
   C  13    0.0000 
   O  14    0.5979     0.0000 
   O  15    0.5979     1.0356     0.0000 



ATOMIC CHARGES
   C   1    0.0201555722
   C   2    0.1182203975
   N   3   -0.2070907143
   C   4    0.2854452590
   C   5    0.1374205693
   C   6    0.0128346355
   C   7    0.2784278848
   O   8   -0.3232847213
   O   9   -0.3232847213
   C  10    0.1772282435
   C  11    0.1772282435
   O  12   -0.2649742028
   C  13    0.3924283059
   O  14   -0.2403773757
   O  15   -0.2403773757


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    7  Car  Car   C3    119.999
   3    2    7  Nar  Car   C3    120.000
   1    2    3  Car  Car  Nar    120.001
   2    3    4  Car  Nar  Car    119.999
   3    4   12  Nar  Car   O3    119.995
   5    4   12  Car  Car   O3    120.004
   3    4    5  Nar  Car  Car    120.001
   6    5   13  Car  Car  Cac    119.995
   4    5    6  Car  Car  Car    120.001
   4    5   13  Car  Car  Cac    120.004
   1    6    5  Car  Car  Car    119.999
   2    7    8  Car   C3   O3    119.997
   2    7    9  Car   C3   O3    119.999
   8    7    9   O3   C3   O3    120.004
   7    8   10   C3   O3   C3    119.992
   7    9   11   C3   O3   C3    119.991
   5   13   14  Car  Cac O.co2    120.004
   5   13   15  Car  Cac O.co2    119.992
  14   13   15 O.co2  Cac O.co2    120.004


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