Molecule FYI-1014279

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A

Molecule Summary:

ID: FYI-1014279
Names:
InChIKey: OKZYCXHTTZZYSK-UHFFFAOYSA-N
SMILES: CC(O)(CCOP(=O)(O)O)CC(=O)O

Received at FYIcenter.com on: 2025-03-21

Molecule ID: FYI-1014279 Edit

Molecule Structure InChIKey: OKZYCXHTTZZYSK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(O)(CCOP(=O)(O)O)CC(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014279
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    7.7871    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014279-3D
FYIcenter.com

 27 26  0     1  0  0  0  0  0999 V2000
    3.2460   -0.1780    0.1089 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    1.4154    0.9139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    0.2155    0.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7855   -2.3904   -0.6224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247   -1.4497    0.8619 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5041    0.9909   -0.9784 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736   -1.4596   -0.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3606   -0.4003    1.0889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7895    1.1024   -0.0390 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4985    0.7946    0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2941   -0.0711   -0.8952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211    2.3408   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7182    0.4418   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -1.3524   -0.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472    1.6544    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820   -0.0106    1.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6031   -0.2649   -1.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2660    0.1678   -1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5840    2.6432   -1.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    2.1665   -1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629    3.1963   -0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.2608   -0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -0.4632   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173    2.1798    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -3.2143   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    1.0015   -1.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5964   -1.9519   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  2  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1100👍, 0💬