Molecule FYI-1003526

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A

Molecule Summary:

ID: FYI-1003526
Names:
InChIKey: JXAOTICXQLILTC-UHFFFAOYSA-N
SMILES: NC1C(O)C(O)C(O)C(O)C1O

Received at FYIcenter.com on: 2023-06-28

Molecule ID: FYI-1003526 Edit

Molecule Structure InChIKey: JXAOTICXQLILTC-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1C(O)C(O)C(O)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003526
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   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
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003526-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    2.0704   -1.8383   -0.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5174    2.7178   -0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5829   -2.7022    0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795    1.8194    0.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6226   -0.8607   -0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6925    0.8730    0.3360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    0.4628   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0965   -0.9773    0.2283 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2926    1.4358    0.2323 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2944   -1.4359   -0.2181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0935    0.9691   -0.2174 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3895   -0.4636    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947    0.5067   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944   -1.0897    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.5760    1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3163   -1.5969   -1.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2011    1.0859   -1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -0.5182    1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1910    0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.8603    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937   -1.7551   -1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4063    3.0074   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -2.9703    0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9509    1.5048    0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5057   -0.8320   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  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 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2023-07-05, 2369👍, 0💬