Molecule FYI-1002615

A

Molecule Summary:

ID: FYI-1002615
Names:
InChIKey: CKSWDORIHKSRRX-UHFFFAOYSA-N
SMILES: CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)OC(C)=O

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002615 Edit

Molecule Structure InChIKey: CKSWDORIHKSRRX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002615
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
   13.5244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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 27 14  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002615-3D
FYIcenter.com

 55 55  0  0  1  0  0  0  0  0999 V2000
    3.8874   -3.3601   -1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -2.0602   -0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063   -1.7291   -1.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -1.2929   -0.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    0.0133    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    0.9730   -1.0092 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2432    2.3352   -0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    3.2899   -1.6395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    4.8755   -1.2573 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.1806    4.7771    0.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415    5.5265   -2.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END
$$$$

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2023-04-17, 737👍, 0💬