
 CHEMBL220337

 47 48  0  0  0  0  0  0  0  0999 V2000
    0.9312    0.4095    1.6765 C   0  0  0  0  0
    2.1074    0.7381    2.4141 O   0  0  0  0  0
    3.0031    1.5642    1.6534 C   0  0  0  0  0
    2.6021    3.0287    1.7001 C   0  0  0  0  0
    3.9198    3.7630    1.4585 C   0  0  0  0  0
    4.9919    2.8783    1.8838 O   0  0  0  0  0
    4.4070    1.6237    2.2675 C   0  0  0  0  0
    5.2613    0.4887    1.8710 N   0  0  0  0  0
    5.1943   -0.6577    2.6505 C   0  0  0  0  0
    5.6733   -1.8331    2.2322 C   0  0  0  0  0
    6.2270   -1.8969    0.8729 C   0  0  0  0  0
    6.3011   -2.9536    0.2526 O   0  0  0  0  0
    6.5496   -0.6986    0.3189 N   0  0  0  0  0
    5.9117    0.4731    0.6400 C   0  0  0  0  0
    5.9340    1.3879   -0.1907 O   0  0  0  0  0
    4.1271    4.1530   -0.0083 C   0  0  0  0  0
    3.8890    3.0422   -0.8622 O   0  0  0  0  0
    4.5034    3.0926   -2.3408 P   0  0  0  0  0
    3.9179    4.1419   -3.2269 O   0  0  0  0  0
    6.0707    3.2788   -2.0518 O   0  0  0  0  0
    4.4765    1.6192   -2.9165 O   0  0  0  0  0
    3.2969    0.5746   -2.8849 P   0  0  0  0  0
    2.6501    0.3208   -1.5655 O   0  0  0  0  0
    2.2774    1.1038   -4.0022 O   0  0  0  0  0
    3.8961   -0.7200   -3.5920 O   0  0  0  0  0
    5.0699   -1.5864   -2.9694 P   0  0  0  0  0
    6.3075   -0.8631   -2.5550 O   0  0  0  0  0
    4.4331   -2.4677   -1.8091 O   0  0  0  0  0
    5.3504   -2.6850   -4.0951 O   0  0  0  0  0
    2.1081    3.3569    3.0099 O   0  0  0  0  0
    0.3041   -0.2299    2.3037 H   0  0  0  0  0
    1.1863   -0.1409    0.7670 H   0  0  0  0  0
    0.3649    1.3121    1.4288 H   0  0  0  0  0
    3.0721    1.2000    0.6282 H   0  0  0  0  0
    1.8140    3.2885    0.9873 H   0  0  0  0  0
    3.9964    4.6636    2.0780 H   0  0  0  0  0
    4.3443    1.6313    3.3642 H   0  0  0  0  0
    4.6849   -0.5798    3.6096 H   0  0  0  0  0
    5.5850   -2.7477    2.8016 H   0  0  0  0  0
    6.8808   -0.7275   -0.6412 H   0  0  0  0  0
    5.1525    4.5136   -0.1397 H   0  0  0  0  0
    3.4348    4.9521   -0.2903 H   0  0  0  0  0
    6.3439    2.6038   -1.3845 H   0  0  0  0  0
    2.6493    1.1325   -4.9012 H   0  0  0  0  0
    5.1130   -2.9481   -1.2840 H   0  0  0  0  0
    6.0155   -2.3941   -4.7444 H   0  0  0  0  0
    1.5626    2.5959    3.2915 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 18 21  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 43  1  0  0  0
 21 22  1  0  0  0
 22 25  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 26 29  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 45  1  0  0  0
 29 46  1  0  0  0
 30 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL220337

>  <PubChem CID>
44420644

>  <Formula>
C10H17N2O15P3

>  <Molecular Weight>
498.166000

>  <IUPAC Name>
[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

>  <XlogP>
-5.300

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
COC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

>  <Isomeric SMILES>
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

>  <InChI Std. ID>
InChI=1S/C10H17N2O15P3/c1-23-8-7(14)5(25-9(8)12-3-2-6(13)11-10(12)15)4-24-29(19,20)27-30(21,22)26-28(16,17)18/h2-3,5,7-9,14H,4H2,1H3,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1

>  <InChI Key>
BQJWHJWAEOHVCK-ZOQUXTDFSA-N

