Molecule FYI-1004172

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A

Molecule Summary:

ID: FYI-1004172
Names:
InChIKey: UBWUHZBLCOLWME-UHFFFAOYSA-N
SMILES: OCC1OC(CO)C(O)C(O)C1O

Received at FYIcenter.com on: 2023-08-20

Molecule ID: FYI-1004172 Edit

Molecule Structure InChIKey: UBWUHZBLCOLWME-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC1OC(CO)C(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004172
FYIcenter.com

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.7816    4.1410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    6.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    7.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    3.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    7.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    1.3803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    5.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    6.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    4.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    5.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    6.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5862    2.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    4.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    6.9017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979    2.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9770    4.8312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    2.7285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573    6.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6671    5.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    0.8751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9665    2.0705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1954    7.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    8.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724    8.2820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004172-3D
FYIcenter.com

 27 27  0     1  0  0  0  0  0999 V2000
    0.1286    1.2994   -0.1221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135   -2.7936    0.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2016   -0.8339    1.5021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -1.2087   -0.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6527    0.5059   -0.4044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2619    1.8025    1.1989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588   -1.5408   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1522   -0.8928    0.0747 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3601   -0.6376   -0.0814 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2663    0.5192   -0.5113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1062    0.7765   -0.6235 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5105    1.2520   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2061    1.7519   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -1.7569   -1.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880   -1.5269   -0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536   -0.6214    0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2994    0.4553   -1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    0.7608   -1.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5116    1.4097    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5703    2.2427   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1816    1.4410   -0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    2.7593   -0.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3244   -2.6239    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469   -0.1800    1.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6141   -2.1081   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7429   -0.2364    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9645    2.4315    1.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 24  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  0  0  0  0
  6 13  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1364👍, 0💬