
 CHEMBL202243

 67 66  0  0  0  0  0  0  0  0999 V2000
    1.8166   -1.0071   -1.7302 C   0  0  0  0  0
    3.2798   -0.8542   -1.3471 C   0  0  0  0  0
    3.7101    0.6126   -1.3495 C   0  0  0  0  0
    5.1848    0.7575   -0.9717 C   0  0  0  0  0
    5.6170    2.2248   -0.9557 C   0  0  0  0  0
    7.0932    2.3610   -0.5802 C   0  0  0  0  0
    7.5275    3.8243   -0.5389 C   0  0  0  0  0
    8.9935    3.9598   -0.1445 C   0  0  0  0  0
    9.3194    5.3485   -0.0907 O   0  0  0  0  0
   10.6625    5.5538    0.3456 C   0  0  0  0  0
   10.9735    7.0535    0.4523 C   0  0  0  0  0
   10.0506    7.7128    1.4896 C   0  0  0  0  0
   10.0983    9.1314    1.3649 O   0  0  0  0  0
    9.4436    9.9651    2.5587 P   0  0  0  0  0
    8.0422    9.6372    2.9337 O   0  0  0  0  0
   10.5143    9.9201    3.7378 O   0  0  0  0  0
    9.5945   11.4843    2.0892 O   0  0  0  0  0
   12.3575    7.1494    0.8385 O   0  0  0  0  0
   12.9554    8.4144    0.5663 C   0  0  0  0  0
   14.4423    8.3025    0.8882 C   0  0  0  0  0
   15.1680    9.6312    0.6909 C   0  0  0  0  0
   16.6500    9.5104    1.0497 C   0  0  0  0  0
   17.3716   10.8505    0.8982 C   0  0  0  0  0
   18.8516   10.7293    1.2648 C   0  0  0  0  0
   19.5673   12.0737    1.1379 C   0  0  0  0  0
   21.0401   11.9567    1.4970 C   0  0  0  0  0
    1.5302   -2.0634   -1.7177 H   0  0  0  0  0
    1.6318   -0.6169   -2.7361 H   0  0  0  0  0
    1.1691   -0.4713   -1.0288 H   0  0  0  0  0
    3.8971   -1.4251   -2.0505 H   0  0  0  0  0
    3.4378   -1.2865   -0.3521 H   0  0  0  0  0
    3.0914    1.1780   -0.6421 H   0  0  0  0  0
    3.5414    1.0443   -2.3435 H   0  0  0  0  0
    5.8031    0.2002   -1.6860 H   0  0  0  0  0
    5.3554    0.3147    0.0173 H   0  0  0  0  0
    5.0017    2.7806   -0.2378 H   0  0  0  0  0
    5.4456    2.6709   -1.9429 H   0  0  0  0  0
    7.7089    1.8155   -1.3056 H   0  0  0  0  0
    7.2652    1.9004    0.4003 H   0  0  0  0  0
    6.9078    4.3844    0.1725 H   0  0  0  0  0
    7.3674    4.2981   -1.5154 H   0  0  0  0  0
    9.6348    3.4636   -0.8820 H   0  0  0  0  0
    9.1612    3.5052    0.8389 H   0  0  0  0  0
   11.3539    5.0864   -0.3665 H   0  0  0  0  0
   10.8199    5.0709    1.3185 H   0  0  0  0  0
   10.8290    7.5235   -0.5288 H   0  0  0  0  0
   10.3648    7.4342    2.5017 H   0  0  0  0  0
    9.0092    7.4104    1.3433 H   0  0  0  0  0
   11.3087   10.4272    3.4968 H   0  0  0  0  0
    8.7555   11.7880    1.6939 H   0  0  0  0  0
   12.5067    9.1858    1.1973 H   0  0  0  0  0
   12.8148    8.6772   -0.4880 H   0  0  0  0  0
   14.8930    7.5250    0.2586 H   0  0  0  0  0
   14.5620    7.9569    1.9229 H   0  0  0  0  0
   14.7006   10.4004    1.3176 H   0  0  0  0  0
   15.0659    9.9565   -0.3513 H   0  0  0  0  0
   17.1244    8.7609    0.4046 H   0  0  0  0  0
   16.7499    9.1568    2.0833 H   0  0  0  0  0
   16.8940   11.5986    1.5427 H   0  0  0  0  0
   17.2761   11.2053   -0.1352 H   0  0  0  0  0
   19.3328    9.9925    0.6101 H   0  0  0  0  0
   18.9469   10.3589    2.2927 H   0  0  0  0  0
   19.0944   12.8107    1.7974 H   0  0  0  0  0
   19.4758   12.4497    0.1124 H   0  0  0  0  0
   21.1666   11.6099    2.5276 H   0  0  0  0  0
   21.5315   12.9303    1.4036 H   0  0  0  0  0
   21.5512   11.2531    0.8322 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 18  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 21 22  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 25  1  0  0  0
 24 61  1  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
 25 63  1  0  0  0
 25 64  1  0  0  0
 26 65  1  0  0  0
 26 66  1  0  0  0
 26 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL202243

>  <PubChem CID>
44407397

>  <Formula>
C19H41O6P

>  <Molecular Weight>
396.505000

>  <IUPAC Name>
[(2R)-2,3-dioctoxypropyl] dihydrogen phosphate

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C19H41O6P/c1-3-5-7-9-11-13-15-23-17-19(18-25-26(20,21)22)24-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,22)/t19-/m1/s1

>  <InChI Key>
GDLXQEKNJMCXRS-LJQANCHMSA-N

