Molecule FYI-1014787

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A

Molecule Summary:

ID: FYI-1014787
Names:
InChIKey: CLSVEGLVXYAUSX-VRPWFDPXSA-N
SMILES: CO[C@H]1[C@H](O)COC(O)[C@@H]1O

Received at FYIcenter.com on: 2025-05-23

Molecule ID: FYI-1014787 Edit

Molecule Structure InChIKey: CLSVEGLVXYAUSX-VRPWFDPXSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1014787
FYIcenter.com

 11 11  0  0  1  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  9  8  1  0  0  0  0
  2 10  1  1  0  0  0
 11  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014787-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -1.6123   -0.9106   -0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    0.4232   -0.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5487    0.0420    2.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4939    1.9357    0.1500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -2.1856   -0.5784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6441    0.7937    0.1681 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2705   -0.4011    1.0553 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5420    1.2678   -0.6745 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5033   -1.4769    0.2857 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2437    0.0985   -1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.4133   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574    1.6351    0.8015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611   -0.8538    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2024    1.9807   -1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218   -2.1994    0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124   -0.3451   -2.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689    0.4366   -1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229   -0.7240    2.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    2.2579   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0088   -3.0764   -0.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1447    1.3685    0.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271   -0.4111    0.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    0.2656   -0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  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 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1726👍, 0💬