
 CHEMBL211465

 65 65  0  0  0  0  0  0  0  0999 V2000
    0.8993   -0.1673   -0.1896 C   0  0  0  0  0
    2.4158   -0.1258   -0.0926 C   0  0  0  0  0
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    8.5814    4.2714    0.0129 C   0  0  0  0  0
    9.0999    5.7089    0.0400 C   0  0  0  0  0
   10.6286    5.7570    0.0340 C   0  0  0  0  0
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   12.6518    7.2810    0.0389 C   0  0  0  0  0
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   15.0627   10.3139    0.1424 C   0  0  0  0  0
   16.5558   10.4547    0.0185 C   0  0  0  0  0
   17.3377   10.2965    0.9442 O   0  0  0  0  0
   16.8952   10.8001   -1.2534 O   0  0  0  0  0
   18.2938   11.0114   -1.5031 C   0  0  0  0  0
   18.6153   12.5054   -1.5198 C   0  0  0  0  0
   18.3640   13.2045   -0.1752 C   0  0  0  0  0
   19.1573   14.5022   -0.2527 C   0  0  0  0  0
   20.6658   13.9639   -1.0771 P   0  0  0  0  0
   22.2314   13.5677   -0.0365 S   0  0  0  0  0
   19.9962   12.7068   -1.8600 O   0  0  0  0  0
   20.8446   15.0031   -2.2925 O   0  0  0  0  0
    0.5446   -1.2014   -0.1377 H   0  0  0  0  0
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    0.4378    0.3919    0.6306 H   0  0  0  0  0
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    2.5159    1.8855    0.6856 H   0  0  0  0  0
    2.6133    1.7884   -1.0739 H   0  0  0  0  0
    4.8924    0.7834   -0.9069 H   0  0  0  0  0
    4.7997    0.8405    0.8548 H   0  0  0  0  0
    4.5856    3.3285    0.7742 H   0  0  0  0  0
    4.6537    3.2850   -0.9890 H   0  0  0  0  0
    6.9341    2.2663   -0.8858 H   0  0  0  0  0
    6.8699    2.2832    0.8782 H   0  0  0  0  0
    6.6568    4.7716    0.8584 H   0  0  0  0  0
    6.6917    4.7689   -0.9061 H   0  0  0  0  0
    8.9761    3.7531   -0.8694 H   0  0  0  0  0
    8.9459    3.7326    0.8958 H   0  0  0  0  0
    8.7195    6.2179    0.9341 H   0  0  0  0  0
    8.7143    6.2547   -0.8299 H   0  0  0  0  0
   11.0089    5.2669   -0.8703 H   0  0  0  0  0
   11.0206    5.2013    0.8944 H   0  0  0  0  0
   10.7612    7.6791    1.0043 H   0  0  0  0  0
   10.7056    7.7638   -0.7570 H   0  0  0  0  0
   13.0161    6.8267   -0.8903 H   0  0  0  0  0
   13.0800    6.7091    0.8708 H   0  0  0  0  0
   12.7701    9.1746    1.0647 H   0  0  0  0  0
   12.6559    9.3126   -0.6902 H   0  0  0  0  0
   14.9878    8.4386   -0.9226 H   0  0  0  0  0
   15.1095    8.2687    0.8248 H   0  0  0  0  0
   14.7658   10.7386    1.1085 H   0  0  0  0  0
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   18.5150   10.5826   -2.4877 H   0  0  0  0  0
   18.9366   10.4702   -0.7981 H   0  0  0  0  0
   18.0125   12.9998   -2.2916 H   0  0  0  0  0
   18.7718   12.5988    0.6422 H   0  0  0  0  0
   17.3017   13.3782    0.0182 H   0  0  0  0  0
   18.6211   15.2290   -0.8719 H   0  0  0  0  0
   19.3338   14.9435    0.7315 H   0  0  0  0  0
   20.0339   15.3492   -2.7051 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
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  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
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  8  9  1  0  0  0
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  9 44  1  0  0  0
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 23 24  2  0  0  0
 26 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL211465

>  <PubChem CID>
11849496

>  <Formula>
C20H39O4PS

>  <Molecular Weight>
406.562000

>  <IUPAC Name>
(2-hydroxy-2-sulfanylidene-1,2$l^{5}-oxaphospholan-5-yl)methyl hexadecanoate

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)OCC1CCP(=S)(O1)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)OCC1CCP(=S)(O1)O

>  <InChI Std. ID>
InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)

>  <InChI Key>
HGTUZBIEGDZLRZ-UHFFFAOYSA-N

