Molecule FYI-1003614

A

Molecule Summary:

ID: FYI-1003614
Names:
InChIKey: MIAQANSICLUCMH-JMXUPQJJSA-N
SMILES: CC(=O)OC[C@H](COP(=O)(OF)OCC[N+](C)(C)C)OC(C)=O

Received at FYIcenter.com on: 2023-07-12

Molecule ID: FYI-1003614 Edit

Molecule Structure InChIKey: MIAQANSICLUCMH-JMXUPQJJSA-N

Molecule Structure SMILES String: CC(=O)OC[C@H](COP(=O)(OF)OCC[N+](C)(C)C)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003614
FYIcenter.com

 23 22  0  0  1  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.6368    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0369    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.6248    0.0000 F   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  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  2  0  0  0  0
  1 15  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19  1  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003614-3D
FYIcenter.com

 47 46  0  0  1  0  0  0  0  0999 V2000
    1.4462    0.2499    4.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8495   -0.1726    3.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1811   -1.3151    3.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    0.8938    3.8548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0993    0.5925    3.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7504    0.8650    2.4500 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1610   -0.0278    1.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7729    0.2430    0.0942 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1279   -0.7514   -1.1659 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.2037    0.3808   -1.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6110   -0.5954   -1.8974 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9530    0.7597   -2.1182 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829   -1.7458   -2.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3003   -1.8172   -3.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590   -2.6820   -4.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7570   -2.7548   -5.9301 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0124   -1.3655   -6.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0939   -3.3801   -5.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1275   -3.6278   -7.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1624    0.5610    2.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0298    1.3570    1.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4421    0.9237    2.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7218    2.2827    1.1726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9032   -0.5940    4.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440    0.5813    3.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4492    1.0552    4.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6004    1.9193    2.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -1.0824    1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842    0.1384    1.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2528   -2.2571   -3.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473   -0.7968   -3.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -2.2846   -5.1079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -3.7102   -4.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863   -0.7751   -5.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0472   -0.8971   -6.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5954   -1.4810   -7.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228   -2.7006   -4.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6923   -3.5254   -6.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8975   -4.3384   -5.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1796   -3.1739   -7.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8154   -3.6741   -7.8642 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5285    0.3637    3.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0791    1.8102    2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861    0.2983    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  6 29  1  6  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
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 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

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2023-07-29, 921👍, 0💬