Molecule FYI-1002988

A

Molecule Summary:

ID: FYI-1002988
Names:
InChIKey: QFBWOLBPVQLZEH-DVKNGEFBSA-M
SMILES: O=S(=O)([O-])C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002988 Edit

Molecule Structure InChIKey: QFBWOLBPVQLZEH-DVKNGEFBSA-M

Molecule Structure SMILES String: O=S(=O)([O-])C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002988
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.9841    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9841    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5592    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1965    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1965    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    6.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  1  8  1  6  0  0  0
  6  9  1  1  0  0  0
  5 10  1  6  0  0  0
  4 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002988-3D
FYIcenter.com

 26 26  0     1  0  0  0  0  0999 V2000
    3.0089    0.1088    0.0511 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0152    0.9235   -0.7380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378   -2.4733    0.5830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1734   -1.6459   -0.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5544    1.2079    0.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541    2.0160    1.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065   -0.1347    1.4909 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1741   -0.5005   -0.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7329    1.4867   -0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960   -1.3225   -0.2179 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3292   -0.2924   -0.0493 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1459   -0.7418    0.2079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3793    0.6153   -0.4528 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1810    1.5476   -0.2672 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6551   -0.7947   -0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498   -1.6561   -1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450   -0.0736    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230   -0.6662    1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5553    0.4582   -1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462    2.4374   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6930   -0.6878   -1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   -1.8441   -0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4532   -2.1833    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1365   -1.7244   -1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6773    2.0675   -0.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106    2.8803    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
  1 15  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 12  1  0  0  0  0
  4 24  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$

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2023-05-31, 1108👍, 0💬