
 CHEMBL190771

 65 64  0  0  0  0  0  0  0  0999 V2000
    0.9396   -0.2576    0.0832 C   0  0  0  0  0
    2.4572   -0.2046    0.1553 C   0  0  0  0  0
    2.9752    1.2285    0.0363 C   0  0  0  0  0
    4.5030    1.2726    0.0985 C   0  0  0  0  0
    5.0247    2.7074    0.0060 C   0  0  0  0  0
    6.5535    2.7467    0.0533 C   0  0  0  0  0
    7.0738    4.1831   -0.0090 C   0  0  0  0  0
    8.6032    4.2281    0.0202 C   0  0  0  0  0
    9.1086    5.6708   -0.0080 C   0  0  0  0  0
   10.6375    5.7409    0.0002 C   0  0  0  0  0
   11.1084    7.1954    0.0176 C   0  0  0  0  0
   12.6340    7.3119   -0.0012 C   0  0  0  0  0
   13.0551    8.7804    0.0769 C   0  0  0  0  0
   14.5720    8.9589    0.0109 C   0  0  0  0  0
   14.9371   10.4310    0.1581 C   0  0  0  0  0
   16.4157   10.6618   -0.0051 C   0  0  0  0  0
   17.2045   10.7656    0.9211 O   0  0  0  0  0
   16.7347   10.7674   -1.3247 O   0  0  0  0  0
   18.1150   11.0860   -1.6170 C   0  0  0  0  0
   18.3857   10.6164   -3.0490 C   0  0  0  0  0
   19.7443   10.7760   -3.3995 O   0  0  0  0  0
   20.1591   10.4706   -4.9092 P   0  0  0  0  0
   19.7507    9.1422   -5.4474 O   0  0  0  0  0
   19.5430   11.6656   -5.7689 O   0  0  0  0  0
   21.7258   10.7340   -5.0080 O   0  0  0  0  0
   18.3368   12.5917   -1.4641 C   0  0  0  0  0
   19.6458   12.9063   -1.6258 F   0  0  0  0  0
    0.5917   -1.2911    0.1775 H   0  0  0  0  0
    0.5783    0.1364   -0.8722 H   0  0  0  0  0
    0.4873    0.3281    0.8900 H   0  0  0  0  0
    2.8769   -0.8208   -0.6483 H   0  0  0  0  0
    2.7871   -0.6413    1.1051 H   0  0  0  0  0
    2.5557    1.8389    0.8453 H   0  0  0  0  0
    2.6335    1.6665   -0.9094 H   0  0  0  0  0
    4.9206    0.6758   -0.7215 H   0  0  0  0  0
    4.8458    0.8184    1.0362 H   0  0  0  0  0
    4.6152    3.3002    0.8330 H   0  0  0  0  0
    4.6743    3.1675   -0.9259 H   0  0  0  0  0
    6.9615    2.1702   -0.7857 H   0  0  0  0  0
    6.9055    2.2695    0.9759 H   0  0  0  0  0
    6.6731    4.7539    0.8377 H   0  0  0  0  0
    6.7107    4.6664   -0.9243 H   0  0  0  0  0
    9.0043    3.6788   -0.8400 H   0  0  0  0  0
    8.9701    3.7283    0.9247 H   0  0  0  0  0
    8.7125    6.2117    0.8603 H   0  0  0  0  0
    8.7255    6.1759   -0.9034 H   0  0  0  0  0
   11.0354    5.2317   -0.8856 H   0  0  0  0  0
   11.0280    5.2167    0.8806 H   0  0  0  0  0
   10.7154    7.6922    0.9133 H   0  0  0  0  0
   10.6940    7.7240   -0.8498 H   0  0  0  0  0
   13.0283    6.8586   -0.9185 H   0  0  0  0  0
   13.0606    6.7605    0.8452 H   0  0  0  0  0
   12.6767    9.2152    1.0104 H   0  0  0  0  0
   12.5905    9.3369   -0.7467 H   0  0  0  0  0
   14.9510    8.5684   -0.9414 H   0  0  0  0  0
   15.0562    8.3776    0.8051 H   0  0  0  0  0
   14.6445   10.8052    1.1464 H   0  0  0  0  0
   14.4044   11.0498   -0.5740 H   0  0  0  0  0
   18.7938   10.5454   -0.9451 H   0  0  0  0  0
   17.7495   11.1650   -3.7540 H   0  0  0  0  0
   18.1184    9.5571   -3.1419 H   0  0  0  0  0
   18.8233   11.3455   -6.3420 H   0  0  0  0  0
   22.1203   10.2752   -5.7693 H   0  0  0  0  0
   18.0301   12.9421   -0.4740 H   0  0  0  0  0
   17.7514   13.1554   -2.1984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 10 48  1  0  0  0
 11 12  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 12 13  1  0  0  0
 12 51  1  0  0  0
 12 52  1  0  0  0
 13 14  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 15  1  0  0  0
 14 55  1  0  0  0
 14 56  1  0  0  0
 15 16  1  0  0  0
 15 57  1  0  0  0
 15 58  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 26  1  0  0  0
 19 20  1  0  0  0
 19 59  1  0  0  0
 20 21  1  0  0  0
 20 60  1  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 22 25  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 62  1  0  0  0
 25 63  1  0  0  0
 26 27  1  0  0  0
 26 64  1  0  0  0
 26 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL190771

>  <PubChem CID>
11026029

>  <Formula>
C19H38FO6P

>  <Molecular Weight>
412.479000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)OC(COP(=O)(O)O)CF

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

>  <InChI Std. ID>
InChI=1S/C19H38FO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)26-18(16-20)17-25-27(22,23)24/h18H,2-17H2,1H3,(H2,22,23,24)/t18-/m0/s1

>  <InChI Key>
JTRDAOCJEIRXNJ-SFHVURJKSA-N

