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3-amino-2-hydroxy-propanoic acid
3-amino-2-hydroxy-propanoic acid ID: AN-45965
CAS:565-71-9
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(CN)C(=O)O	11267
FORMULA: C3H7NO3
MASS: 105.0926
EXACT MASS: 105.0425931
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    2.0000     0.0000 
   O   3    2.6457     1.7320     0.0000 
   N   4    2.0000     3.4641     3.0000     0.0000 
   C   5    1.0000     1.7320     1.7320     1.7321     0.0000 
   C   6    1.7320     2.6457     2.0000     1.0001     1.0000     0.0000 
   C   7    1.7320     1.0000     1.0000     2.6458     1.0000     1.7320 
   H   8    0.8743     1.2347     1.8397     2.2901     0.6200     1.6199 
   H   9    2.0295     2.4059     1.4332     1.5968     1.0812     0.6199 
   H  10    2.3451     3.1512     2.1944     1.0812     1.5968     0.6200 
   H  11    2.6200     4.0130     3.3533     0.6200     2.2901     1.4158 
   H  12    1.7733     3.5191     3.3533     0.6200     1.8397     1.4158 
   H  13    0.6201     2.6200     3.1408     1.7732     1.4158     1.8397 
   H  14    2.6200     0.6201     1.8397     4.0131     2.2901     3.1408 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    0.8743     0.0000 
   H   9    1.4155     1.6309     0.0000 
   H  10    2.1829     2.2128     0.7971     0.0000 
   H  11    3.1408     2.8736     1.9203     1.2045     0.0000 
   H  12    2.8292     2.2901     2.0354     1.6620     1.0739     0.0000 
   H  13    2.2901     1.4674     2.2860     2.3980     2.3715     1.3800 
   H  14    1.4158     1.8397     2.8161     3.5956     4.5380     4.1078 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    3.2401     0.0000 



ATOMIC CHARGES
   O   1   -0.3793670414
   O   2   -0.4787929598
   O   3   -0.2480383832
   N   4   -0.3272174393
   C   5    0.1635253132
   C   6    0.0298303648
   C   7    0.3348938188
   H   8    0.0723052700
   H   9    0.0452688455
   H  10    0.0452688455
   H  11    0.1183093606
   H  12    0.1183093606
   H  13    0.2105673450
   H  14    0.2951372997


BOND ANGLES
   5    1   13   C3   O3   HO    119.997
   7    2   14   C2   O3   HO    120.002
   6    4   11   C3   N3   HC    120.000
   6    4   12   C3   N3   HC    119.998
  11    4   12   HC   N3   HC    120.002
   1    5    6   O3   C3   C3    120.001
   1    5    7   O3   C3   C2    120.001
   1    5    8   O3   C3   HC     59.998
   6    5    7   C3   C3   C2    119.999
   6    5    8   C3   C3   HC    179.974
   7    5    8   C2   C3   HC     60.002
   4    6    5   N3   C3   C3    120.001
   4    6    9   N3   C3   HC    159.999
   4    6   10   N3   C3   HC     79.990
   5    6    9   C3   C3   HC     80.000
   5    6   10   C3   C3   HC    160.009
   9    6   10   HC   C3   HC     80.009
   2    7    3   O3   C2   O2    120.001
   2    7    5   O3   C2   C3    119.999
   3    7    5   O2   C2   C3    120.001


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


CHIRAL ATOMS
   8    5    7    3    179.974