
 D0Z6DG

 74 73  0  0  0  0  0  0  0  0999 V2000
    3.3627   13.5834    4.7030 C   0  0  0  0  0
    3.5415   12.8075    3.4083 C   0  0  0  0  0
    4.7160   13.3433    2.5900 C   0  0  0  0  0
    4.8711   12.5726    1.2776 C   0  0  0  0  0
    5.9992   13.1502    0.4201 C   0  0  0  0  0
    6.1211   12.4710   -0.9489 C   0  0  0  0  0
    6.5101   10.9885   -0.9103 C   0  0  0  0  0
    7.8774   10.7080   -0.2803 C   0  0  0  0  0
    9.0461   11.1332   -1.1311 C   0  0  0  0  0
   10.2171   10.4855   -1.1418 C   0  0  0  0  0
   11.4228   10.8981   -1.9352 C   0  0  0  0  0
   12.6971   10.9671   -1.0830 C   0  0  0  0  0
   12.5846   11.9183    0.1116 C   0  0  0  0  0
   13.8831   12.0745    0.9066 C   0  0  0  0  0
   14.5282   10.8036    1.4736 C   0  0  0  0  0
   13.8862   10.1963    2.7283 C   0  0  0  0  0
   12.5790    9.4217    2.5789 C   0  0  0  0  0
   12.6426    8.1631    1.7418 C   0  0  0  0  0
   13.3368    7.9867    0.7505 O   0  0  0  0  0
   11.6761    7.2973    2.1574 O   0  0  0  0  0
   11.3507    6.1949    1.2649 C   0  0  0  0  0
   10.4569    5.2226    2.0407 C   0  0  0  0  0
    9.2486    5.8687    2.4751 O   0  0  0  0  0
    8.4638    6.3331    1.3794 C   0  0  0  0  0
    9.2393    7.3265    0.5324 C   0  0  0  0  0
   10.5685    6.7401    0.0587 C   0  0  0  0  0
   10.2444    5.7756   -0.9302 O   0  0  0  0  0
   11.3563    5.0751   -1.8497 P   0  0  0  0  0
   10.5927    4.3363   -3.4693 S   0  0  0  0  0
   12.1514    6.3942   -2.3842 O   0  0  0  0  0
   12.3811    4.3712   -1.0309 O   0  0  0  0  0
   11.7481    6.2834   -4.6568 Na  0  0  0  0  0
    2.5157   13.1840    5.2698 H   0  0  0  0  0
    3.1673   14.6417    4.5019 H   0  0  0  0  0
    4.2564   13.5116    5.3307 H   0  0  0  0  0
    2.6182   12.8743    2.8208 H   0  0  0  0  0
    3.7015   11.7484    3.6413 H   0  0  0  0  0
    5.6408   13.2630    3.1744 H   0  0  0  0  0
    4.5593   14.4076    2.3766 H   0  0  0  0  0
    3.9304   12.6135    0.7151 H   0  0  0  0  0
    5.0683   11.5190    1.5056 H   0  0  0  0  0
    6.9481   13.0958    0.9644 H   0  0  0  0  0
    5.8072   14.2169    0.2511 H   0  0  0  0  0
    6.8512   13.0251   -1.5496 H   0  0  0  0  0
    5.1635   12.5619   -1.4757 H   0  0  0  0  0
    6.4917   10.5918   -1.9333 H   0  0  0  0  0
    5.7477   10.4270   -0.3585 H   0  0  0  0  0
    7.9291    9.6326   -0.1047 H   0  0  0  0  0
    7.9570   11.1812    0.7011 H   0  0  0  0  0
    8.9255   12.0278   -1.7418 H   0  0  0  0  0
   10.3450    9.6175   -0.5070 H   0  0  0  0  0
   11.2560   11.8652   -2.4245 H   0  0  0  0  0
   11.5777   10.1594   -2.7296 H   0  0  0  0  0
   13.5281   11.2840   -1.7259 H   0  0  0  0  0
   12.9379    9.9582   -0.7395 H   0  0  0  0  0
   11.7809   11.6063    0.7823 H   0  0  0  0  0
   12.2954   12.9100   -0.2593 H   0  0  0  0  0
   13.7128   12.7891    1.7212 H   0  0  0  0  0
   14.6190   12.5478    0.2426 H   0  0  0  0  0
   15.5459   11.0945    1.7720 H   0  0  0  0  0
   14.6702   10.0525    0.6937 H   0  0  0  0  0
   13.7249   11.0010    3.4576 H   0  0  0  0  0
   14.6241    9.5218    3.1817 H   0  0  0  0  0
   11.7805   10.0516    2.1826 H   0  0  0  0  0
   12.2705    9.1254    3.5904 H   0  0  0  0  0
   12.2747    5.6840    0.9816 H   0  0  0  0  0
   10.9708    4.8830    2.9444 H   0  0  0  0  0
   10.2003    4.3424    1.4405 H   0  0  0  0  0
    8.1160    5.4789    0.7874 H   0  0  0  0  0
    7.5758    6.8267    1.7952 H   0  0  0  0  0
    8.6273    7.6075   -0.3327 H   0  0  0  0  0
    9.4343    8.2252    1.1325 H   0  0  0  0  0
   11.1274    7.5418   -0.4292 H   0  0  0  0  0
   12.7981    6.5740   -1.6567 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  6 44  1  0  0  0
  6 45  1  0  0  0
  7  8  1  0  0  0
  7 46  1  0  0  0
  7 47  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  8 49  1  0  0  0
  9 10  2  0  0  0
  9 50  1  0  0  0
 10 11  1  0  0  0
 10 51  1  0  0  0
 11 12  1  0  0  0
 11 52  1  0  0  0
 11 53  1  0  0  0
 12 13  1  0  0  0
 12 54  1  0  0  0
 12 55  1  0  0  0
 13 14  1  0  0  0
 13 56  1  0  0  0
 13 57  1  0  0  0
 14 15  1  0  0  0
 14 58  1  0  0  0
 14 59  1  0  0  0
 15 16  1  0  0  0
 15 60  1  0  0  0
 15 61  1  0  0  0
 16 17  1  0  0  0
 16 62  1  0  0  0
 16 63  1  0  0  0
 17 18  1  0  0  0
 17 64  1  0  0  0
 17 65  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 26  1  0  0  0
 21 22  1  0  0  0
 21 66  1  0  0  0
 22 23  1  0  0  0
 22 67  1  0  0  0
 22 68  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 69  1  0  0  0
 24 70  1  0  0  0
 25 26  1  0  0  0
 25 71  1  0  0  0
 25 72  1  0  0  0
 26 27  1  0  0  0
 26 73  1  0  0  0
 27 28  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 74  1  0  0  0
M  CHG  2  31  -1  32   1
M  END

>  <Chemical Name>
D0Z6DG

>  <PubChem CID>
23701997

>  <Formula>
C23H42NaO6PS

>  <Molecular Weight>
500.607000

>  <IUPAC Name>
sodium;[(3R,4S)-4-[hydroxy(oxido)phosphinothioyl]oxyoxan-3-yl] (Z)-octadec-9-enoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OC1COCCC1OP(=S)(O)[O-].[Na+]

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1COCC[C@@H]1OP(=S)(O)[O-].[Na+]

>  <InChI Std. ID>
InChI=1S/C23H43O6PS.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)28-22-20-27-19-18-21(22)29-30(25,26)31;/h9-10,21-22H,2-8,11-20H2,1H3,(H2,25,26,31);/q;+1/p-1/b10-9-;/t21-,22+;/m0./s1

>  <InChI Key>
DFEVXZSENXLXQQ-LYOQJJATSA-M

