
 CHEMBL192107

 71 70  0  0  0  0  0  0  0  0999 V2000
    1.0316   -0.3459   -0.5972 C   0  0  0  0  0
    2.5417   -0.2618   -0.4451 C   0  0  0  0  0
    3.0332    1.1842   -0.5111 C   0  0  0  0  0
    4.5533    1.2590   -0.3617 C   0  0  0  0  0
    5.0491    2.7053   -0.3999 C   0  0  0  0  0
    6.5702    2.7717   -0.2522 C   0  0  0  0  0
    7.0684    4.2174   -0.2514 C   0  0  0  0  0
    8.5905    4.2802   -0.1114 C   0  0  0  0  0
    9.0828    5.7269   -0.0737 C   0  0  0  0  0
   10.6071    5.7992    0.0364 C   0  0  0  0  0
   11.0807    7.2512    0.1027 C   0  0  0  0  0
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   14.5668    8.9621    0.2097 C   0  0  0  0  0
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   16.4433   10.6262    0.2030 C   0  0  0  0  0
   17.2189   10.7114    1.1451 O   0  0  0  0  0
   16.7842   10.7406   -1.1097 O   0  0  0  0  0
   18.1692   11.0610   -1.3868 C   0  0  0  0  0
   18.4233   10.6673   -2.8464 C   0  0  0  0  0
   19.8919   10.4757   -3.1777 C   0  0  0  0  0
   20.3459    9.3583   -2.5448 F   0  0  0  0  0
   20.1964   10.0873   -4.8946 P   0  0  0  0  0
   19.4595    8.9388   -5.5003 O   0  0  0  0  0
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   21.7850    9.9569   -5.0865 O   0  0  0  0  0
   18.3715   12.5677   -1.1300 C   0  0  0  0  0
   19.6448   13.0211   -1.5825 O   0  0  0  0  0
   19.9035   14.3530   -1.1493 C   0  0  0  0  0
    0.7030   -1.3885   -0.5426 H   0  0  0  0  0
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    0.5254    0.2118    0.1973 H   0  0  0  0  0
    3.0165   -0.8533   -1.2366 H   0  0  0  0  0
    2.8317   -0.7096    0.5126 H   0  0  0  0  0
    2.5556    1.7708    0.2831 H   0  0  0  0  0
    2.7353    1.6315   -1.4672 H   0  0  0  0  0
    5.0297    0.6856   -1.1663 H   0  0  0  0  0
    4.8521    0.7950    0.5862 H   0  0  0  0  0
    4.5754    3.2770    0.4074 H   0  0  0  0  0
    4.7508    3.1730   -1.3460 H   0  0  0  0  0
    7.0429    2.2198   -1.0738 H   0  0  0  0  0
    6.8704    2.2813    0.6818 H   0  0  0  0  0
    6.5998    4.7660    0.5747 H   0  0  0  0  0
    6.7644    4.7124   -1.1817 H   0  0  0  0  0
    9.0583    3.7527   -0.9515 H   0  0  0  0  0
    8.8982    3.7648    0.8065 H   0  0  0  0  0
    8.6275    6.2463    0.7784 H   0  0  0  0  0
    8.7569    6.2495   -0.9814 H   0  0  0  0  0
   11.0618    5.3005   -0.8281 H   0  0  0  0  0
   10.9402    5.2629    0.9332 H   0  0  0  0  0
   10.6518    7.7343    0.9893 H   0  0  0  0  0
   10.7085    7.7976   -0.7727 H   0  0  0  0  0
   13.0341    6.8913   -0.7475 H   0  0  0  0  0
   12.9893    6.7963    1.0157 H   0  0  0  0  0
   12.6541    9.2520    1.1696 H   0  0  0  0  0
   12.6094    9.3789   -0.5890 H   0  0  0  0  0
   14.9599    8.5513   -0.7283 H   0  0  0  0  0
   15.0219    8.3832    1.0226 H   0  0  0  0  0
   14.6545   10.8233    1.3198 H   0  0  0  0  0
   14.4514   11.0465   -0.4080 H   0  0  0  0  0
   18.8280   10.4667   -0.7412 H   0  0  0  0  0
   17.9753   11.4083   -3.5195 H   0  0  0  0  0
   17.8997    9.7250   -3.0542 H   0  0  0  0  0
   20.5271   11.3094   -2.8806 H   0  0  0  0  0
   20.2364   12.2705   -5.2318 H   0  0  0  0  0
   21.9926    9.5950   -5.9698 H   0  0  0  0  0
   18.2632   12.7744   -0.0586 H   0  0  0  0  0
   17.5875   13.1381   -1.6449 H   0  0  0  0  0
   20.8726   14.6621   -1.5488 H   0  0  0  0  0
   19.9465   14.3968   -0.0567 H   0  0  0  0  0
   19.1342   15.0343   -1.5248 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
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  4  5  1  0  0  0
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  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
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  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
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  9 48  1  0  0  0
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 16 17  2  0  0  0
 18 19  1  0  0  0
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 23 24  2  0  0  0
 25 65  1  0  0  0
 26 66  1  0  0  0
 27 28  1  0  0  0
 27 67  1  0  0  0
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 29 71  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL192107

>  <PubChem CID>
44400424

>  <Formula>
C21H42FO6P

>  <Molecular Weight>
440.533000

>  <IUPAC Name>
[(3S)-1-fluoro-3-hexadecanoyloxy-4-methoxybutyl]phosphonic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)OC(CC(F)P(=O)(O)O)COC

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(F)P(=O)(O)O)COC

>  <InChI Std. ID>
InChI=1S/C21H42FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)28-19(18-27-2)17-20(22)29(24,25)26/h19-20H,3-18H2,1-2H3,(H2,24,25,26)/t19-,20?/m0/s1

>  <InChI Key>
LKADQADNCLDKMS-XJDOXCRVSA-N

