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ethyl dihydrogen phosphate
ethyl dihydrogen phosphate ID: AN-19768
CAS:1623-14-9
Supplier:AN PharmaTech Co Ltd

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SMILES:P(=O)(OCC)(O)O	74190
FORMULA: C2H7O4P
MASS: 126.0483
EXACT MASS: 126.0081953
INTERATOMIC DISTANCES

              P   1      O   2      O   3      O   4      O   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0001     2.0000     0.0000 
   O   4    1.0001     1.4142     1.4143     0.0000 
   O   5    1.0000     1.4142     1.4143     2.0000     0.0000 
   C   6    1.7320     1.0000     2.6458     2.3941     1.5059     0.0000 
   C   7    2.6457     1.7320     3.6055     3.1196     2.5035     1.0000 
   H   8    1.4155     1.0812     2.1997     2.2716     0.9207     0.6199 
   H   9    2.1828     1.5967     2.9967     2.9526     1.6767     0.6199 
   H  10    2.9082     2.1114     3.8024     3.5256     2.5467     1.1766 
   H  11    3.2380     2.2901     4.2101     3.6354     3.1229     1.6200 
   H  12    2.5120     1.5200     3.5087     2.7932     2.6112     1.1766 
   H  13    1.4158     2.3716     0.6200     1.3895     2.0195     3.1408 
   H  14    1.4158     1.3894     2.0195     0.6200     2.3716     2.3796 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    1.5967     0.0000 
   H   9    1.0812     0.7970     0.0000 
   H  10    0.6200     1.6343     0.8924     0.0000 
   H  11    0.6201     2.2128     1.6309     0.8768     0.0000 
   H  12    0.6201     1.7880     1.5201     1.2400     0.8769     0.0000 
   H  13    4.0601     2.7513     3.5450     4.3137     4.6469     3.8896 
   H  14    2.9306     2.4182     2.9852     3.4163     3.3775     2.5049 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    2.0023     0.0000 



ATOMIC CHARGES
   P   1    0.4723611096
   O   2   -0.2870544910
   O   3   -0.3025981484
   O   4   -0.3025981484
   O   5   -0.2275211152
   C   6    0.0562609153
   C   7   -0.0410015014
   H   8    0.0562716581
   H   9    0.0562716581
   H  10    0.0251852383
   H  11    0.0251852383
   H  12    0.0251852383
   H  13    0.2220261743
   H  14    0.2220261743


BOND ANGLES
   2    1    3   O3    P   O3    179.974
   2    1    4   O3    P   O3     89.997
   2    1    5   O3    P   O2     90.000
   3    1    4   O3    P   O3     90.000
   3    1    5   O3    P   O2     90.003
   4    1    5   O3    P   O2    179.974
   1    2    6    P   O3   C3    119.999
   1    3   13    P   O3   HO    120.000
   1    4   14    P   O3   HO    120.000
   2    6    7   O3   C3   C3    119.999
   2    6    8   O3   C3   HC     80.000
   2    6    9   O3   C3   HC    160.002
   7    6    8   C3   C3   HC    160.002
   7    6    9   C3   C3   HC     80.000
   8    6    9   HC   C3   HC     80.002
   6    7   10   C3   C3   HC     90.001
   6    7   11   C3   C3   HC    179.974
   6    7   12   C3   C3   HC     90.004
  10    7   11   HC   C3   HC     89.995
  10    7   12   HC   C3   HC    179.974
  11    7   12   HC   C3   HC     90.000


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