Molecule FYI-1009948

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A

Molecule Summary:

ID: FYI-1009948
Names:
InChIKey: ACKRRKSNOOISSG-UHFFFAOYSA-N
SMILES: CC12OCC(O)C1(O)O[B-](O)(O)O2

Received at FYIcenter.com on: 2024-05-21

Molecule ID: FYI-1009948 Edit

Molecule Structure InChIKey: ACKRRKSNOOISSG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC12OCC(O)C1(O)O[B-](O)(O)O2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009948
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7315    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
    0.6430    2.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    3.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9363    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3057    1.5701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    2.9157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4710    0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4315    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009948-3D
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    1.1606    0.0303   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900    0.0577    0.0914 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1292    1.3370    0.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4011    1.5213   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2686    0.9768   -1.4581 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4857    0.7445   -2.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.2695   -1.2360 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5642   -0.5271   -2.3303 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2210   -1.3965   -1.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942   -1.7525    0.4019 B   0  5  0  0  0  0  0  0  0  0  0  0
    5.3986   -1.5602    1.0689 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742   -3.1613    0.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -0.8905    1.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    0.7916   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7203    0.2496    0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123   -0.9772   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473    0.9654    0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6954    2.5917   -0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776    1.7399   -2.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    0.2436   -1.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781    0.3081   -2.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -1.8656    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -3.7036    0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1033👍, 0💬