
 CHEMBL201482

 67 66  0  0  0  0  0  0  0  0999 V2000
    1.6836   -0.8229   -1.4047 C   0  0  0  0  0
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    7.2722    1.9669    0.5146 H   0  0  0  0  0
    6.9397    4.4599    0.3461 H   0  0  0  0  0
    7.3193    4.3967   -1.3624 H   0  0  0  0  0
    9.6034    3.5231   -0.8482 H   0  0  0  0  0
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   10.8450    7.5760   -0.4495 H   0  0  0  0  0
   10.3855    7.3599    2.5774 H   0  0  0  0  0
    9.0540    7.4809    1.3956 H   0  0  0  0  0
   11.7035    9.7205    3.6344 H   0  0  0  0  0
   10.9992   11.5398    2.0341 H   0  0  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL201482

>  <PubChem CID>
11625765

>  <Formula>
C19H41O5PS

>  <Molecular Weight>
412.566000

>  <IUPAC Name>
[(2R)-2,3-dioctoxypropoxy]-dihydroxy-sulfanylidene-$l^{5}-phosphane

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCCOCC(COP(=S)(O)O)OCCCCCCCC

>  <Isomeric SMILES>
CCCCCCCCOC[C@H](COP(=S)(O)O)OCCCCCCCC

>  <InChI Std. ID>
InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1

>  <InChI Key>
PLCCQSPJUXGEHV-LJQANCHMSA-N

