Molecule FYI-1002616

A

Molecule Summary:

ID: FYI-1002616
Names:
InChIKey: ZCXUVYAZINUVJD-IVMDWMLBSA-N
SMILES: OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@@H]1O

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002616 Edit

Molecule Structure InChIKey: ZCXUVYAZINUVJD-IVMDWMLBSA-N

Molecule Structure SMILES String: OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002616
FYIcenter.com

 12 12  0  0  1  0  0  0  0  0999 V2000
    3.6373    0.0000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   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 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    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  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  1  0  0  0
  4 11  1  6  0  0  0
  3 12  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002616-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -2.7915    0.5396    0.4608 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6804    1.1571   -0.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -2.4585    0.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -2.0391   -0.4572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    2.6874   -0.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.9297    0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -1.2491   -0.2347 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1026   -1.0547    0.1962 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2141   -0.0754    0.2359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6085    0.3301   -0.1851 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6326    1.4225    0.2372 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6472   -0.1894   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3919   -1.3465   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2178   -1.2242    1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473   -0.0295    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    0.3923   -1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6054    1.4892    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852   -0.1853   -1.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430   -1.0917    0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6708   -2.6880   -0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8254   -1.9050   -1.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7193    3.3656    0.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9368    1.7296   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 21  1  0  0  0  0
  5 11  1  0  0  0  0
  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

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2023-04-17, 682👍, 0💬