Molecule FYI-1002615

A

Molecule Summary:

ID: FYI-1002615
Names:
InChIKey: CKSWDORIHKSRRX-UHFFFAOYSA-N
SMILES: CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)OC(C)=O

Received at FYIcenter.com on: 2023-04-13

Molecule ID: FYI-1002615 Edit

Molecule Structure InChIKey: CKSWDORIHKSRRX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)OCC(COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002615
FYIcenter.com

 31 31  0  0  0  0  0  0  0  0999 V2000
   13.5244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.3000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    0.0000    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 15  1  0  0  0  0
 27 14  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002615-3D
FYIcenter.com

 55 55  0  0  1  0  0  0  0  0999 V2000
    3.8874   -3.3601   -1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466   -2.0602   -0.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063   -1.7291   -1.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295   -1.2929   -0.1600 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    0.0133    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    0.9730   -1.0092 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2432    2.3352   -0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939    3.2899   -1.6395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    4.8755   -1.2573 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.1806    4.7771    0.1946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9415    5.5265   -2.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1406    6.4611   -0.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    6.4651   -0.7695 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1469    5.9949   -2.1228 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2673    5.8636   -2.1580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820    6.9383   -3.2177 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2771    6.4861   -4.5136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2007    8.3725   -2.9511 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2370    8.3790   -2.9904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354    7.8934   -4.5393 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2812    8.0392   -4.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3995    9.3066   -5.2217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4339    7.4078   -6.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6645    8.8698   -1.5706 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1370   10.1781   -1.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2501    7.8980   -0.4434 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8198    8.2978    0.8069 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1788    1.0994   -1.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5476    0.7256   -2.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0249    0.8607   -2.7961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7937    0.2924   -3.4603 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1315   -4.0405   -1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3287   -3.8182   -0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531   -3.1859   -1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790    0.3591    1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6226   -0.0383    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1955    0.6093   -1.8634 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786    2.6793    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060    2.2572   -0.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8052    5.5784   -3.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4065    5.7907    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5033    4.9881   -2.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029    6.7198   -1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759    6.9328   -3.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    5.5761   -4.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5618    9.0594   -3.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962    9.2085   -5.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3291    7.8098   -6.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7552    8.9812   -1.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8294   10.1359   -1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8357    7.9336   -0.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7905    8.2295    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4798    1.4675   -2.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2133    1.3569   -3.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4836   -0.1327   -2.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 2040👍, 0💬