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Dibenzyl Phosphite
Dibenzyl Phosphite ID: B184440
CAS:17176-77-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:P(=O)(OCc1ccccc1)OCc1ccccc1	
FORMULA: C14H15O3P
MASS: 262.2409
EXACT MASS: 262.0758810
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    0.7458     0.0000 
   O   3    0.7396     0.7411     0.0000 
   O   4    0.7370     1.4351     1.0532     0.0000 
   C   5    1.2873     0.7396     0.7458     1.7832     0.0000 
   C   6    1.2793     2.0250     1.7773     0.7396     2.4854     0.0000 
   C   7    1.9588     2.6959     2.3164     1.2833     3.0578     0.7468 
   C   8    1.9655     1.4829     1.2894     2.3241     0.7432     3.0591 
   C   9    2.2260     1.9620     1.4864     2.3557     1.2875     3.0851 
   C  10    2.5695     1.9592     1.9632     3.0151     1.2822     3.7396 
   C  11    2.5667     3.3125     3.0127     1.9612     3.7436     1.2875 
   C  12    2.2171     2.8901     2.3460     1.4801     3.0813     1.2864 
   C  13    3.2318     2.6696     2.5695     3.5989     1.9592     4.3361 
   C  14    3.2242     3.9666     3.5901     2.5625     4.3337     1.9604 
   C  15    2.9603     3.6278     3.0586     2.2233     3.7823     1.9673 
   C  16    2.9692     2.6752     2.2296     3.0703     1.9661     3.7887 
   C  17    3.4042     2.9692     2.6813     3.6276     2.2296     4.3629 
   C  18    3.3878     4.1014     3.6090     2.6665     4.3501     2.2233 
   H  19    0.7417     1.0489     1.4293     1.2771     1.7739     1.4724 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.5404     0.0000 
   C   9    3.4250     0.7447     0.0000 
   C  10    4.2563     0.7375     1.2848     0.0000 
   C  11    0.7432     4.2616     4.1673     4.9686     0.0000 
   C  12    0.7375     3.4253     3.1585     4.1618     1.2843     0.0000 
   C  13    4.7896     1.2801     1.4834     0.7396     5.5200     4.6048 
   C  14    1.2792     4.7886     4.6025     5.5135     0.7375     1.4787 
   C  15    1.2843     4.0674     3.7185     4.8043     1.4875     0.7432 
   C  16    4.0707     1.2875     0.7432     1.4853     4.8134     3.7242 
   C  17    4.7135     1.4864     1.2894     1.2876     5.4561     4.4184 
   C  18    1.4766     4.7033     4.4063     5.4402     1.2822     1.2792 
   H  19    2.2192     2.5109     2.8904     3.0063     2.6683     2.6641 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    6.0156     0.0000 
   C  15    5.1931     1.2859     0.0000 
   C  16    1.2870     5.1950     4.2096     0.0000 
   C  17    0.7442     5.8773     4.9329     0.7458     0.0000 
   C  18    5.8684     0.7417     0.7396     4.9263     5.6417     0.0000 
   H  19    3.7183     3.3878     3.3914     3.6287     3.9917     3.6958 

              H  19
              -----------
   H  19    0.0000 



ATOMIC CHARGES
   P   1    0.3232071011
   O   2   -0.2617769893
   O   3   -0.2916308330
   O   4   -0.2916308330
   C   5    0.1775451822
   C   6    0.1775451822
   C   7    0.0077674862
   C   8    0.0077674862
   C   9   -0.0018391439
   C  10   -0.0018391439
   C  11   -0.0018391439
   C  12   -0.0018391439
   C  13   -0.0002448909
   C  14   -0.0002448909
   C  15   -0.0002448909
   C  16   -0.0002448909
   C  17   -0.0000180778
   C  18   -0.0000180778
   H  19    0.1595785123


BOND ANGLES
   2    1    3   O2    P   O3     59.857
   2    1    4   O2    P   O3    150.860
   2    1   19   O2    P   HC     89.677
   3    1    4   O3    P   O3     91.003
   3    1   19   O3    P   HC    149.534
   4    1   19   O3    P   HC    119.462
   1    3    5    P   O3   C3    120.143
   1    4    6    P   O3   C3    120.072
   3    5    8   O3   C3  Car    119.979
   4    6    7   O3   C3  Car    119.392
   6    7   11   C3  Car  Car    119.556
   6    7   12   C3  Car  Car    120.143
  11    7   12  Car  Car  Car    120.301
   5    8    9   C3  Car  Car    119.835
   5    8   10   C3  Car  Car    119.975
   9    8   10  Car  Car  Car    120.190
   8    9   16  Car  Car  Car    119.835
   8   10   13  Car  Car  Car    120.139
   7   11   14  Car  Car  Car    119.514
   7   12   15  Car  Car  Car    120.301
  10   13   17  Car  Car  Car    120.386
  11   14   18  Car  Car  Car    120.184
  12   15   18  Car  Car  Car    119.233
   9   16   17  Car  Car  Car    119.979
  13   17   16  Car  Car  Car    119.471
  14   18   15  Car  Car  Car    120.466


TORSION ANGLES
   5    3    1    2      0.026
   5    3    1    4    179.974
   5    3    1   19      0.026
   6    4    1    2    179.974
   6    4    1    3    179.974
   6    4    1   19      0.026
   8    5    3    1    179.974
   7    6    4    1    179.974
  11    7    6    4    179.974
  12    7    6    4      0.026
   9    8    5    3      0.026
  10    8    5    3    179.974
  16    9    8    5    179.974
  16    9    8   10      0.026
  13   10    8    5    179.974
  13   10    8    9      0.026
  14   11    7    6    179.974
  14   11    7   12      0.026
  15   12    7    6    179.974
  15   12    7   11      0.026
  17   13   10    8      0.026
  18   14   11    7      0.026
  18   15   12    7      0.026
  17   16    9    8      0.026
  16   17   13   10      0.026
  14   18   15   12      0.026
  11   14   18   15      0.026
   9   16   17   13      0.026