
 CHEMBL193196

 71 70  0  0  0  0  0  0  0  0999 V2000
    0.3976    0.1608    0.1383 C   0  0  0  0  0
    1.9144    0.1667    0.2435 C   0  0  0  0  0
    2.4813    1.5800    0.1086 C   0  0  0  0  0
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    6.1052    2.9782    0.2127 C   0  0  0  0  0
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   16.7107    9.5034   -1.1924 C   0  0  0  0  0
   17.2822    8.4505   -1.4274 O   0  0  0  0  0
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   18.6869   10.7446   -1.5775 C   0  0  0  0  0
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   18.9499   14.3301    0.6570 F   0  0  0  0  0
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   21.1241   13.2020   -2.0651 C   0  0  0  0  0
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    2.2087   -0.2612    1.2091 H   0  0  0  0  0
    2.0602    2.2207    0.8929 H   0  0  0  0  0
    2.1794    2.0078   -0.8551 H   0  0  0  0  0
    4.4273    0.9510   -0.5847 H   0  0  0  0  0
    4.3088    1.1289    1.1672 H   0  0  0  0  0
    4.1616    3.6160    0.9086 H   0  0  0  0  0
    4.2791    3.4425   -0.8444 H   0  0  0  0  0
    6.5209    2.3674   -0.5982 H   0  0  0  0  0
    6.4055    2.5079    1.1572 H   0  0  0  0  0
    6.2815    4.9999    0.9569 H   0  0  0  0  0
    6.3814    4.8663   -0.8008 H   0  0  0  0  0
    8.6132    3.7507   -0.5901 H   0  0  0  0  0
    8.5200    3.8859    1.1667 H   0  0  0  0  0
    8.4429    6.3741    0.9896 H   0  0  0  0  0
    8.4755    6.2588   -0.7719 H   0  0  0  0  0
   10.6940    5.0845   -0.6406 H   0  0  0  0  0
   10.6766    5.2588    1.1149 H   0  0  0  0  0
   10.6630    7.7340    0.9027 H   0  0  0  0  0
   10.5575    7.6031   -0.8549 H   0  0  0  0  0
   12.7530    6.3681   -0.8742 H   0  0  0  0  0
   12.8822    6.5927    0.8712 H   0  0  0  0  0
   12.9231    9.0520    0.5938 H   0  0  0  0  0
   12.6321    8.8933   -1.1403 H   0  0  0  0  0
   14.7815    7.6153   -1.3777 H   0  0  0  0  0
   15.0973    7.8287    0.3402 H   0  0  0  0  0
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   14.7369   10.1387   -1.6474 H   0  0  0  0  0
   18.7895   10.7336   -2.6692 H   0  0  0  0  0
   19.2032    9.8591   -1.1860 H   0  0  0  0  0
   18.8085   12.8900   -1.3988 H   0  0  0  0  0
   19.8655   11.1951    0.9343 H   0  0  0  0  0
   18.2244   11.8399    0.8394 H   0  0  0  0  0
   20.7714   13.5435    0.8639 H   0  0  0  0  0
   21.5181   12.5509    3.0782 H   0  0  0  0  0
   19.7349   15.0707    4.2611 H   0  0  0  0  0
   22.0934   13.0170   -2.5331 H   0  0  0  0  0
   21.2399   14.0194   -1.3444 H   0  0  0  0  0
   20.4116   13.4839   -2.8419 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
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M  END

>  <Chemical Name>
CHEMBL193196

>  <PubChem CID>
44400374

>  <Formula>
C21H42FO6P

>  <Molecular Weight>
440.533000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C21H42FO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(23)28-18-19(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>
AXYAECHUOCJWMS-XJDOXCRVSA-N

