Molecule Editor

Molecule ID: FYI-1016167 Edit

Molecule Structure InChIKey: XXYAHZTTZHJSQA-IMJSIDKUSA-N

Molecule Structure SMILES String: C[C@@]1(C#N)N[C@H]1P(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016167
FYIcenter.com

 10 10  0  0  1  0  0  0  0  0999 V2000
    1.5747    1.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9372    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225    3.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5648    5.0468    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747    6.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    6.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    4.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  0  0  0  0
  4  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
  3 10  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016167-3D
FYIcenter.com

 17 17  0     1  0  0  0  0  0999 V2000
   -1.7310    0.0894    0.2589 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6904    1.3809    0.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260   -0.8576   -0.9865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296   -0.5597    1.6073 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4910    0.3317   -1.4117 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4119    0.6588    0.5171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775    0.6982   -0.1248 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0920   -0.2606   -0.2108 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8831   -1.7297    0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    0.2484    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1291    1.7104    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090   -0.3428   -1.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0240   -2.1229   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282   -1.9402    1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7217   -2.3045   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6339    1.2998    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9595   -1.3730   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  3  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$