
 CHEMBL192861

 69 68  0  0  0  0  0  0  0  0999 V2000
   12.6586   -4.3281    2.2610 C   0  0  0  0  0
   11.5726   -3.4091    1.7252 C   0  0  0  0  0
   11.9203   -1.9388    1.9547 C   0  0  0  0  0
   10.8251   -1.0179    1.4148 C   0  0  0  0  0
   11.1833    0.4529    1.6288 C   0  0  0  0  0
   10.1016    1.3783    1.0687 C   0  0  0  0  0
   10.4822    2.8464    1.2616 C   0  0  0  0  0
    9.4420    3.7827    0.6448 C   0  0  0  0  0
    9.8577    5.2155    0.8149 C   0  0  0  0  0
   10.3207    5.9795   -0.1866 C   0  0  0  0  0
   10.7811    7.3975   -0.0112 C   0  0  0  0  0
   12.3032    7.4929   -0.1385 C   0  0  0  0  0
   12.7860    8.9327    0.0369 C   0  0  0  0  0
   14.3116    9.0257   -0.0391 C   0  0  0  0  0
   14.7802   10.4702    0.1395 C   0  0  0  0  0
   16.3030   10.5897    0.0704 C   0  0  0  0  0
   16.7392   12.0357    0.2684 C   0  0  0  0  0
   18.2363   12.1740    0.1691 C   0  0  0  0  0
   19.0117   11.9338    1.0813 O   0  0  0  0  0
   18.5898   12.5819   -1.0798 O   0  0  0  0  0
   19.9927   12.8931   -1.2753 C   0  0  0  0  0
   20.3690   12.4092   -2.6740 C   0  0  0  0  0
   21.7669   12.4951   -2.8876 O   0  0  0  0  0
   22.2743   12.2549   -4.3825 P   0  0  0  0  0
   21.8319   11.0004   -5.0496 O   0  0  0  0  0
   21.9317   13.6117   -5.1460 O   0  0  0  0  0
   23.8612   12.3682   -4.2847 O   0  0  0  0  0
   20.1786   14.4040   -1.1468 C   0  0  0  0  0
   19.9154   14.7972    0.1271 F   0  0  0  0  0
   21.4574   14.7705   -1.4026 F   0  0  0  0  0
   12.3909   -5.3745    2.0841 H   0  0  0  0  0
   12.7936   -4.1892    3.3385 H   0  0  0  0  0
   13.6160   -4.1341    1.7668 H   0  0  0  0  0
   10.6230   -3.6487    2.2174 H   0  0  0  0  0
   11.4394   -3.5970    0.6535 H   0  0  0  0  0
   12.8724   -1.7060    1.4621 H   0  0  0  0  0
   12.0587   -1.7559    3.0273 H   0  0  0  0  0
    9.8752   -1.2418    1.9151 H   0  0  0  0  0
   10.6802   -1.2085    0.3444 H   0  0  0  0  0
   12.1405    0.6708    1.1394 H   0  0  0  0  0
   11.3164    0.6483    2.6997 H   0  0  0  0  0
    9.1461    1.1764    1.5674 H   0  0  0  0  0
    9.9605    1.1720    0.0007 H   0  0  0  0  0
   11.4613    3.0311    0.8009 H   0  0  0  0  0
   10.5884    3.0600    2.3328 H   0  0  0  0  0
    8.4679    3.6374    1.1262 H   0  0  0  0  0
    9.3091    3.5432   -0.4171 H   0  0  0  0  0
    9.7921    5.6235    1.8218 H   0  0  0  0  0
   10.3977    5.5658   -1.1901 H   0  0  0  0  0
   10.4652    7.7886    0.9639 H   0  0  0  0  0
   10.2979    8.0203   -0.7732 H   0  0  0  0  0
   12.6207    7.1167   -1.1191 H   0  0  0  0  0
   12.7769    6.8542    0.6181 H   0  0  0  0  0
   12.4445    9.3190    1.0050 H   0  0  0  0  0
   12.3391    9.5653   -0.7394 H   0  0  0  0  0
   14.6579    8.6414   -1.0064 H   0  0  0  0  0
   14.7585    8.3951    0.7392 H   0  0  0  0  0
   14.4268   10.8513    1.1057 H   0  0  0  0  0
   14.3288   11.0984   -0.6387 H   0  0  0  0  0
   16.6628   10.2212   -0.8978 H   0  0  0  0  0
   16.7630    9.9560    0.8385 H   0  0  0  0  0
   16.4327   12.4103    1.2522 H   0  0  0  0  0
   16.2669   12.6935   -0.4712 H   0  0  0  0  0
   20.6311   12.3863   -0.5415 H   0  0  0  0  0
   19.8344   12.9899   -3.4351 H   0  0  0  0  0
   20.0618   11.3643   -2.7969 H   0  0  0  0  0
   22.5263   14.3228   -4.8450 H   0  0  0  0  0
   24.2605   11.4811   -4.1977 H   0  0  0  0  0
   19.5093   14.9605   -1.8097 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  2  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 12 53  1  0  0  0
 13 14  1  0  0  0
 13 54  1  0  0  0
 13 55  1  0  0  0
 14 15  1  0  0  0
 14 56  1  0  0  0
 14 57  1  0  0  0
 15 16  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 17  1  0  0  0
 16 60  1  0  0  0
 16 61  1  0  0  0
 17 18  1  0  0  0
 17 62  1  0  0  0
 17 63  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 28  1  0  0  0
 21 22  1  0  0  0
 21 64  1  0  0  0
 22 23  1  0  0  0
 22 65  1  0  0  0
 22 66  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 67  1  0  0  0
 27 68  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL192861

>  <PubChem CID>
11015922

>  <Formula>
C21H39F2O6P

>  <Molecular Weight>
456.508000

>  <IUPAC Name>
[(2R)-1,1-difluoro-3-phosphonooxypropan-2-yl] (E)-octadec-9-enoate

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OC(COP(=O)(O)O)C(F)F

>  <Isomeric SMILES>
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](COP(=O)(O)O)C(F)F

>  <InChI Std. ID>
InChI=1S/C21H39F2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)29-19(21(22)23)18-28-30(25,26)27/h9-10,19,21H,2-8,11-18H2,1H3,(H2,25,26,27)/b10-9+/t19-/m1/s1

>  <InChI Key>
FJPWQJDOXYSIEW-JBVUFVISSA-N

