
 CHEMBL574076

 31 31  0  0  0  0  0  0  0  0999 V2000
   -3.8232    6.1457    1.9076 C   0  0  0  0  0
   -2.6221    6.3586    1.3660 C   0  0  0  0  0
   -1.7019    5.3416    1.2019 N   0  0  0  0  0
   -1.9576    4.0513    1.6466 C   0  0  0  0  0
   -1.1425    3.1321    1.6025 O   0  0  0  0  0
   -3.2062    3.8405    2.1720 N   0  0  0  0  0
   -4.1697    4.7882    2.3543 C   0  0  0  0  0
   -5.2560    4.5486    2.8684 O   0  0  0  0  0
   -0.3733    5.6066    0.6686 C   0  0  0  0  0
   -0.4056    6.7185   -0.2244 O   0  0  0  0  0
    0.8869    6.9816   -0.7727 C   0  0  0  0  0
    0.7617    8.1617   -1.7296 C   0  0  0  0  0
    2.1018    8.5733   -2.3186 C   0  0  0  0  0
    2.6421    7.5034   -3.0741 O   0  0  0  0  0
    4.0559    7.7631   -3.7768 P   0  0  0  0  0
    4.1531    8.9252   -4.6997 O   0  0  0  0  0
    5.1011    7.7860   -2.5720 O   0  0  0  0  0
    4.3831    6.3618   -4.4643 O   0  0  0  0  0
   -4.5608    6.9250    2.0420 H   0  0  0  0  0
   -2.3339    7.3512    1.0308 H   0  0  0  0  0
   -3.4103    2.9084    2.4950 H   0  0  0  0  0
   -0.0039    4.7216    0.1379 H   0  0  0  0  0
    0.2892    5.8216    1.5156 H   0  0  0  0  0
    1.2476    6.0926   -1.3021 H   0  0  0  0  0
    1.5826    7.2228    0.0392 H   0  0  0  0  0
    0.3080    9.0125   -1.2075 H   0  0  0  0  0
    0.0684    7.8862   -2.5341 H   0  0  0  0  0
    2.8016    8.8492   -1.5226 H   0  0  0  0  0
    1.9643    9.4392   -2.9746 H   0  0  0  0  0
    6.0026    7.9517   -2.9007 H   0  0  0  0  0
    3.8931    6.2580   -5.2998 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 25  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL574076

>  <PubChem CID>
45481632

>  <Formula>
C8H13N2O7P

>  <Molecular Weight>
280.173000

>  <IUPAC Name>
3-[(2,4-dioxopyrimidin-1-yl)methoxy]propyl dihydrogen phosphate

>  <XlogP>
-2.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)COCCCOP(=O)(O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)COCCCOP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C8H13N2O7P/c11-7-2-3-10(8(12)9-7)6-16-4-1-5-17-18(13,14)15/h2-3H,1,4-6H2,(H,9,11,12)(H2,13,14,15)

>  <InChI Key>
DEVQYDPJVBYSLJ-UHFFFAOYSA-N

