Molecule Editor

Molecule ID: FYI-1015409 Edit

Molecule Structure InChIKey: GXFRJUSMTRJTNS-IARIHHJXSA-N

Molecule Structure SMILES String: Cc3cn([C@@H]1O[C@@]2(COP(=O)(O)OCCCO)CO[C@@H]1[C@@H]2OP(=O)(O)OCCCO)c(=O)[nH]c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015409
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
   14.3006   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2174    9.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    8.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9087    7.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6829    6.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4675    7.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908    6.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3045    6.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1182    6.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9680    5.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2769    7.0638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3601    8.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5858    9.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 18  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  6  0  0  0
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 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 21 22  1  6  0  0  0
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 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
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 35 34  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015409-3D
FYIcenter.com

 63 65  0  0  1  0  0  0  0  0999 V2000
    2.0831   -0.3299    2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873   -0.1172    1.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    0.9371    1.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5423    1.1741   -0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2691    2.4294   -0.2718 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1661    3.2855    0.9056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5287    4.5118    0.4224 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9382    5.3435    1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8817    5.6492    2.5923 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1783    6.5565    3.8865 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.2474    5.3658    4.1408 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4749    7.4638    5.1806 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    6.7519    6.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0636    7.6337    7.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1520    8.1518    8.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0265    9.0352    7.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5733    4.4137   -1.6679 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    3.3192   -1.3858 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5297    3.9890   -0.6056 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8015    4.9678   -1.3316 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$