
 CHEMBL195383

 65 64  0  0  0  0  0  0  0  0999 V2000
    0.9203   -0.2708   -0.0514 C   0  0  0  0  0
    2.4361   -0.1992    0.0392 C   0  0  0  0  0
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   16.5817   10.3730   -0.0561 C   0  0  0  0  0
   17.3964   10.0487    0.7949 O   0  0  0  0  0
   16.8835   10.8430   -1.2975 O   0  0  0  0  0
   18.2883   11.0695   -1.5716 C   0  0  0  0  0
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   19.9029   10.6639   -3.3456 O   0  0  0  0  0
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   19.6757    9.2987   -5.5814 O   0  0  0  0  0
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   21.8696   10.4427   -4.9079 O   0  0  0  0  0
   18.6035   12.5464   -1.3443 C   0  0  0  0  0
   18.4724   12.8524   -0.0269 F   0  0  0  0  0
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    0.5847   -1.3094    0.0303 H   0  0  0  0  0
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    0.4512    0.3022    0.7547 H   0  0  0  0  0
    2.8732   -0.8030   -0.7646 H   0  0  0  0  0
    2.7604   -0.6402    0.9891 H   0  0  0  0  0
    2.5013    1.8391    0.7486 H   0  0  0  0  0
    2.6010    1.6837   -1.0067 H   0  0  0  0  0
    4.8972    0.7190   -0.8019 H   0  0  0  0  0
    4.8013    0.8442    0.9559 H   0  0  0  0  0
    4.5464    3.3253    0.7738 H   0  0  0  0  0
    4.6254    3.2101   -0.9858 H   0  0  0  0  0
    6.9193    2.2311   -0.8298 H   0  0  0  0  0
    6.8439    2.3148    0.9315 H   0  0  0  0  0
    6.5992    4.7996    0.8126 H   0  0  0  0  0
    6.6549    4.7273   -0.9501 H   0  0  0  0  0
    8.9478    3.7398   -0.8494 H   0  0  0  0  0
    8.8963    3.7783    0.9145 H   0  0  0  0  0
    8.6540    6.2639    0.8648 H   0  0  0  0  0
    8.6800    6.2394   -0.8996 H   0  0  0  0  0
   10.9763    5.2597   -0.8672 H   0  0  0  0  0
   10.9561    5.2443    0.8980 H   0  0  0  0  0
   10.7042    7.7261    0.9326 H   0  0  0  0  0
   10.6862    7.7603   -0.8315 H   0  0  0  0  0
   12.9903    6.8067   -0.8918 H   0  0  0  0  0
   13.0169    6.7267    0.8718 H   0  0  0  0  0
   12.7459    9.1987    1.0100 H   0  0  0  0  0
   12.6616    9.3034   -0.7493 H   0  0  0  0  0
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   15.0722    8.2348    0.8173 H   0  0  0  0  0
   14.8303   10.7039    1.0903 H   0  0  0  0  0
   14.5942   10.8973   -0.6393 H   0  0  0  0  0
   18.9341   10.4567   -0.9315 H   0  0  0  0  0
   17.9880   11.3596   -3.6999 H   0  0  0  0  0
   18.1157    9.6731   -3.2084 H   0  0  0  0  0
   20.6729   12.5338   -5.2578 H   0  0  0  0  0
   22.1930    9.5222   -4.8976 H   0  0  0  0  0
   17.9317   13.2036   -1.9048 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
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  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
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  8  9  1  0  0  0
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 26 28  1  0  0  0
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 26 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL195383

>  <PubChem CID>
11122865

>  <Formula>
C19H37F2O6P

>  <Molecular Weight>
430.470000

>  <IUPAC Name>
[(2R)-1,1-difluoro-3-phosphonooxypropan-2-yl] hexadecanoate

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C19H37F2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)27-17(19(20)21)16-26-28(23,24)25/h17,19H,2-16H2,1H3,(H2,23,24,25)/t17-/m1/s1

>  <InChI Key>
FNESAIQQDLSXRX-QGZVFWFLSA-N

