Molecule FYI-1001405

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Molecule Summary:

ID: FYI-1001405
SMILES: N[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO

Received at FYIcenter.com on: 2022-07-10

Molecule ID: FYI-1001405 Edit

Molecule Structure SMILES String: N[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1001405
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    1.5308    0.6332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.6377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    4.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  7  8  1  1  0  0  0
  9  7  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001405-3D
FYIcenter.com

 24 24  0  0  1  0  0  0  0  0999 V2000
    0.9968   -0.1530    0.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -0.0652    0.1775 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0535   -1.3421    0.8115 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1029   -1.9211    1.7150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -0.8772    1.5927 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4974   -1.5097    1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    0.6405    1.3505 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9520    1.3343    2.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441    1.0894    1.0665 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1387    1.3342    2.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482    2.4781    3.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -0.8502   -0.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365    0.7349   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9016    0.0660   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775   -2.0977    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330   -1.5569    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879   -1.0988    2.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801   -1.4208    0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0253    0.8473    0.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5254    0.7013    2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    2.0315    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716    0.4830    3.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0900    1.5414    2.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    2.3600    3.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  6  0  0  0
  3  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  6  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  1  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  6  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 437👍, 0💬