Molecule Editor

Molecule ID: FYI-1015407 Edit

Molecule Structure InChIKey: SWCNPOZFMMDCHB-HLPPOEQASA-N

Molecule Structure SMILES String: Nc3ccn([C@@H]1O[C@@]2(COP(=O)(O)OCCCO)CO[C@@H]1[C@@H]2OP(=O)(O)OCCCO)c(=O)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015407
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
   16.5759    9.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3509    8.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090    9.1814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9839    8.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    9.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9010    7.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    6.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4613    7.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4851    6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2995    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139    6.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0980    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4663    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0428    6.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2678    7.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 33  6  1  0  0  0  0
 34 33  2  0  0  0  0
 34  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015407-3D
FYIcenter.com

 61 63  0  0  1  0  0  0  0  0999 V2000
    1.0946    0.3159   -0.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    0.2385    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291    0.7897    1.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3519    0.6915    1.5201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137    0.1344    0.5176 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792    0.1142    0.5662 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1032    0.8064    1.7546 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667    1.8738    1.2167 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2760    2.9469    2.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8891    2.3951    3.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    3.4285    4.5849 P   0  0  3  0  0  0  0  0  0  0  0  0
   10.2429    4.4705    4.2286 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8153    4.0606    4.9480 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5731    2.5361    5.8769 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6781    1.6544    5.8124 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8489    0.9185    7.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050    0.1329    7.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433   -0.5747    8.7487 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1881    1.2156    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6423    0.6156   -0.6323 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2225    0.9246   -0.5785 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1647    2.3244    0.0173 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$