
 CHEMBL381470

 56 55  0  0  0  0  0  0  0  0999 V2000
    5.5976    7.7438    3.4329 C   0  0  0  0  0
    4.7744    6.7044    2.6843 C   0  0  0  0  0
    5.6195    5.6081    2.0276 C   0  0  0  0  0
    6.4646    6.1369    0.8671 C   0  0  0  0  0
    7.2483    5.0227    0.1665 C   0  0  0  0  0
    8.1365    5.5449   -0.9732 C   0  0  0  0  0
    9.2498    6.4606   -0.4587 C   0  0  0  0  0
   10.2069    6.9228   -1.5533 C   0  0  0  0  0
   11.1401    8.0613   -1.1109 C   0  0  0  0  0
   12.2105    7.6832   -0.0774 C   0  0  0  0  0
   11.7332    7.7522    1.3761 C   0  0  0  0  0
   12.8369    7.4650    2.3992 C   0  0  0  0  0
   13.4835    6.0832    2.2730 C   0  0  0  0  0
   14.2598    5.8281    3.4571 O   0  0  0  0  0
   13.8845    4.4994    3.8438 C   0  0  0  0  0
   12.4443    4.4230    3.4046 C   0  0  0  0  0
   12.4748    5.0746    2.1302 O   0  0  0  0  0
   11.8372    3.0348    3.3204 C   0  0  0  0  0
   12.6854    2.1209    2.6371 O   0  0  0  0  0
   11.9946    0.8315    1.9714 P   0  0  0  0  0
   12.9979   -0.1420    1.4505 O   0  0  0  0  0
   11.4898    0.0946    3.3195 O   0  0  0  0  0
   10.7061    1.1607    1.2548 O   0  0  0  0  0
    8.8072    0.2594    2.1046 K   0  0  0  0  0
    6.2863    8.2744    2.7696 H   0  0  0  0  0
    6.1797    7.2786    4.2345 H   0  0  0  0  0
    4.9369    8.4910    3.8847 H   0  0  0  0  0
    4.1624    7.2049    1.9252 H   0  0  0  0  0
    4.0814    6.2362    3.3930 H   0  0  0  0  0
    4.9472    4.8255    1.6565 H   0  0  0  0  0
    6.2683    5.1422    2.7793 H   0  0  0  0  0
    7.1581    6.8869    1.2556 H   0  0  0  0  0
    5.8178    6.6380    0.1371 H   0  0  0  0  0
    6.5444    4.2891   -0.2449 H   0  0  0  0  0
    7.8697    4.4901    0.8971 H   0  0  0  0  0
    7.5213    6.0749   -1.7099 H   0  0  0  0  0
    8.5849    4.6863   -1.4879 H   0  0  0  0  0
    9.8069    5.9053    0.3001 H   0  0  0  0  0
    8.8150    7.3465    0.0147 H   0  0  0  0  0
    9.6222    7.2831   -2.4092 H   0  0  0  0  0
   10.7991    6.0731   -1.9127 H   0  0  0  0  0
   10.5508    8.9147   -0.7537 H   0  0  0  0  0
   11.6637    8.4088   -2.0111 H   0  0  0  0  0
   13.0409    8.3934   -0.1837 H   0  0  0  0  0
   12.6132    6.6927   -0.3141 H   0  0  0  0  0
   10.9149    7.0538    1.5575 H   0  0  0  0  0
   11.3256    8.7506    1.5771 H   0  0  0  0  0
   12.3919    7.5554    3.3996 H   0  0  0  0  0
   13.6136    8.2373    2.3539 H   0  0  0  0  0
   14.1499    6.0386    1.4043 H   0  0  0  0  0
   14.5389    3.7989    3.3159 H   0  0  0  0  0
   14.0089    4.3719    4.9235 H   0  0  0  0  0
   11.8129    5.0448    4.0515 H   0  0  0  0  0
   10.8765    3.1027    2.8004 H   0  0  0  0  0
   11.6672    2.6440    4.3243 H   0  0  0  0  0
   12.2529   -0.4971    3.5036 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 13 50  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 51  1  0  0  0
 15 52  1  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 16 53  1  0  0  0
 18 19  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 19 20  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 56  1  0  0  0
M  CHG  2  23  -1  24   1
M  END

>  <Chemical Name>
CHEMBL381470

>  <PubChem CID>
44406630

>  <Formula>
C16H32KO6P

>  <Molecular Weight>
390.498000

>  <IUPAC Name>
potassium;(2-dodecyl-1,3-dioxolan-4-yl)methyl hydrogen phosphate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCCCCCCC1OCC(O1)COP(=O)(O)[O-].[K+]

>  <Isomeric SMILES>
CCCCCCCCCCCCC1OCC(O1)COP(=O)(O)[O-].[K+]

>  <InChI Std. ID>
InChI=1S/C16H33O6P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-13-15(22-16)14-21-23(17,18)19;/h15-16H,2-14H2,1H3,(H2,17,18,19);/q;+1/p-1

>  <InChI Key>
PUIPOGMHHGKFAG-UHFFFAOYSA-M

