
 alkyl OMPT

 74 73  0  0  0  0  0  0  0  0999 V2000
   12.8389   -4.3527    1.8177 C   0  0  0  0  0
   11.6903   -3.4086    1.4994 C   0  0  0  0  0
   12.1094   -1.9467    1.6507 C   0  0  0  0  0
   10.9538   -0.9979    1.3268 C   0  0  0  0  0
   11.3820    0.4635    1.4677 C   0  0  0  0  0
   10.2409    1.4202    1.1152 C   0  0  0  0  0
   10.6806    2.8783    1.2624 C   0  0  0  0  0
    9.5733    3.8468    0.8420 C   0  0  0  0  0
   10.0180    5.2713    1.0126 C   0  0  0  0  0
   10.3289    6.0844   -0.0090 C   0  0  0  0  0
   10.8126    7.4976    0.1580 C   0  0  0  0  0
   12.3154    7.5836   -0.1108 C   0  0  0  0  0
   12.8388    9.0181   -0.0049 C   0  0  0  0  0
   14.3601    9.0429   -0.1585 C   0  0  0  0  0
   14.9360   10.4581   -0.0658 C   0  0  0  0  0
   16.4637   10.4103   -0.1318 C   0  0  0  0  0
   17.1039   11.7912   -0.0089 C   0  0  0  0  0
   18.6249   11.6724   -0.0019 C   0  0  0  0  0
   19.2052   12.9690    0.1471 O   0  0  0  0  0
   20.6264   12.8821    0.2619 C   0  0  0  0  0
   21.2562   14.2740    0.4090 C   0  0  0  0  0
   20.7369   14.9651    1.6790 C   0  0  0  0  0
   21.1249   16.3390    1.6870 O   0  0  0  0  0
   20.8520   17.1901    3.0214 P   0  0  0  0  0
   19.0590   17.3134    3.6923 S   0  0  0  0  0
   21.9492   16.5977    4.0268 O   0  0  0  0  0
   21.5405   18.5854    2.6404 O   0  0  0  0  0
   22.6808   14.0703    0.4708 O   0  0  0  0  0
   23.4439   15.2010    0.0787 C   0  0  0  0  0
   12.5191   -5.3926    1.6991 H   0  0  0  0  0
   13.1829   -4.2184    2.8481 H   0  0  0  0  0
   13.6866   -4.1794    1.1470 H   0  0  0  0  0
   10.8493   -3.6265    2.1680 H   0  0  0  0  0
   11.3469   -3.5934    0.4747 H   0  0  0  0  0
   12.9543   -1.7371    0.9834 H   0  0  0  0  0
   12.4557   -1.7676    2.6758 H   0  0  0  0  0
   10.1111   -1.2005    1.9990 H   0  0  0  0  0
   10.6035   -1.1817    0.3038 H   0  0  0  0  0
   12.2379    0.6587    0.8101 H   0  0  0  0  0
   11.7154    0.6510    2.4956 H   0  0  0  0  0
    9.3813    1.2280    1.7682 H   0  0  0  0  0
    9.9136    1.2354    0.0848 H   0  0  0  0  0
   11.5730    3.0535    0.6477 H   0  0  0  0  0
   10.9683    3.0687    2.3041 H   0  0  0  0  0
    8.6762    3.6835    1.4504 H   0  0  0  0  0
    9.2883    3.6533   -0.1994 H   0  0  0  0  0
   10.1033    5.6336    2.0358 H   0  0  0  0  0
   10.2572    5.7172   -1.0311 H   0  0  0  0  0
   10.5945    7.8644    1.1685 H   0  0  0  0  0
   10.2634    8.1420   -0.5386 H   0  0  0  0  0
   12.5402    7.1891   -1.1100 H   0  0  0  0  0
   12.8478    6.9476    0.6084 H   0  0  0  0  0
   12.5608    9.4449    0.9662 H   0  0  0  0  0
   12.3746    9.6393   -0.7800 H   0  0  0  0  0
   14.6395    8.5991   -1.1222 H   0  0  0  0  0
   14.8091    8.4174    0.6233 H   0  0  0  0  0
   14.6212   10.9262    0.8743 H   0  0  0  0  0
   14.5452   11.0732   -0.8850 H   0  0  0  0  0
   16.7738    9.9482   -1.0773 H   0  0  0  0  0
   16.8370    9.7670    0.6751 H   0  0  0  0  0
   16.7725   12.2880    0.9111 H   0  0  0  0  0
   16.7864   12.4379   -0.8356 H   0  0  0  0  0
   18.9734   11.2283   -0.9417 H   0  0  0  0  0
   18.9429   11.0341    0.8311 H   0  0  0  0  0
   21.0368   12.3920   -0.6301 H   0  0  0  0  0
   20.8925   12.2599    1.1263 H   0  0  0  0  0
   21.0013   14.8775   -0.4711 H   0  0  0  0  0
   21.1525   14.4784    2.5685 H   0  0  0  0  0
   19.6447   14.9235    1.7221 H   0  0  0  0  0
   22.8472   16.5263    3.6653 H   0  0  0  0  0
   22.3950   18.5097    2.1877 H   0  0  0  0  0
   24.4797   14.8768   -0.0614 H   0  0  0  0  0
   23.4370   15.9620    0.8628 H   0  0  0  0  0
   23.0843   15.6191   -0.8663 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
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  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
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  2  0  0  0
  9 47  1  0  0  0
 10 11  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 17  1  0  0  0
 16 59  1  0  0  0
 16 60  1  0  0  0
 17 18  1  0  0  0
 17 61  1  0  0  0
 17 62  1  0  0  0
 18 19  1  0  0  0
 18 63  1  0  0  0
 18 64  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 65  1  0  0  0
 20 66  1  0  0  0
 21 28  1  0  0  0
 21 22  1  0  0  0
 21 67  1  0  0  0
 22 23  1  0  0  0
 22 68  1  0  0  0
 22 69  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 70  1  0  0  0
 27 71  1  0  0  0
 28 29  1  0  0  0
 29 72  1  0  0  0
 29 73  1  0  0  0
 29 74  1  0  0  0
M  END

>  <Chemical Name>
alkyl OMPT

>  <PubChem CID>
56947064

>  <Formula>
C22H45O5PS

>  <Molecular Weight>
452.631000

>  <IUPAC Name>
dihydroxy-[(2S)-2-methoxy-3-[(Z)-octadec-9-enoxy]propoxy]-sulfanylidene-$l^{5}-phosphane

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCCOCC(COP(=S)(O)O)OC

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCCOC[C@@H](COP(=S)(O)O)OC

>  <InChI Std. ID>
InChI=1S/C22H45O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h10-11,22H,3-9,12-21H2,1-2H3,(H2,23,24,29)/b11-10-/t22-/m0/s1

>  <InChI Key>
FEHMGBUAJYEJMW-YRBAHSOBSA-N

