
 P1-uridyl-P2-phenyl diphosphate

 47 49  0  0  0  0  0  0  0  0999 V2000
   11.7695   -5.2372    8.4377 C   0  0  0  0  0
   11.3071   -4.1684    7.6681 C   0  0  0  0  0
   10.6883   -4.4034    6.4372 C   0  0  0  0  0
   10.5446   -5.7055    5.9705 C   0  0  0  0  0
   11.0030   -6.7738    6.7430 C   0  0  0  0  0
   11.6121   -6.5435    7.9770 C   0  0  0  0  0
   10.0030   -6.0382    4.7651 O   0  0  0  0  0
    9.3183   -5.0116    3.7175 P   0  0  0  0  0
    7.9566   -4.6079    4.2568 O   0  0  0  0  0
   10.2820   -3.8938    3.3500 O   0  0  0  0  0
    9.1035   -5.9716    2.4537 O   0  0  0  0  0
   10.1785   -6.8113    1.6113 P   0  0  0  0  0
   10.9085   -7.8057    2.4845 O   0  0  0  0  0
    9.5006   -7.3145    0.3494 O   0  0  0  0  0
   11.2278   -5.6518    1.1590 O   0  0  0  0  0
   10.7100   -4.6302    0.3257 C   0  0  0  0  0
   11.7228   -3.5179    0.0618 C   0  0  0  0  0
   12.3383   -2.7750    1.2668 C   0  0  0  0  0
   13.6816   -2.3317    0.7087 C   0  0  0  0  0
   14.0287   -3.5658   -0.1515 C   0  0  0  0  0
   12.8150   -4.0126   -0.7618 O   0  0  0  0  0
   15.0529   -3.3803   -1.1905 N   0  0  0  0  0
   16.2348   -4.0933   -1.0893 C   0  0  0  0  0
   17.2092   -3.9914   -1.9966 C   0  0  0  0  0
   17.0209   -3.0874   -3.1396 C   0  0  0  0  0
   17.9001   -2.9366   -3.9816 O   0  0  0  0  0
   15.8235   -2.4398   -3.1876 N   0  0  0  0  0
   14.8102   -2.5391   -2.2676 C   0  0  0  0  0
   13.7866   -1.8756   -2.4449 O   0  0  0  0  0
   13.5430   -1.0963   -0.0071 O   0  0  0  0  0
   12.6206   -3.5737    2.4080 O   0  0  0  0  0
   12.2580   -5.0505    9.3879 H   0  0  0  0  0
   11.4338   -3.1466    8.0111 H   0  0  0  0  0
   10.3396   -3.5648    5.8401 H   0  0  0  0  0
   10.8903   -7.7841    6.3564 H   0  0  0  0  0
   11.9710   -7.3835    8.5619 H   0  0  0  0  0
    9.8088   -4.1999    0.7720 H   0  0  0  0  0
   10.4339   -5.0871   -0.6308 H   0  0  0  0  0
   11.2279   -2.7715   -0.5735 H   0  0  0  0  0
   11.7077   -1.9346    1.5755 H   0  0  0  0  0
   14.4431   -2.1734    1.4795 H   0  0  0  0  0
   14.3444   -4.3804    0.5158 H   0  0  0  0  0
   16.3415   -4.7598   -0.2372 H   0  0  0  0  0
   18.1346   -4.5461   -1.9362 H   0  0  0  0  0
   15.6553   -1.8200   -3.9617 H   0  0  0  0  0
   13.2130   -1.3230   -0.9041 H   0  0  0  0  0
   11.7274   -3.8166    2.7936 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8 11  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 11 12  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 31  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 30  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 20 42  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  2  0  0  0
 30 46  1  0  0  0
 31 47  1  0  0  0
M  CHG  2  10  -1  14  -1
M  END

>  <Chemical Name>
P1-uridyl-P2-phenyl diphosphate

>  <PubChem CID>
25203283

>  <Formula>
C15H16N2O12P2-2

>  <Molecular Weight>
478.243000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phenyl phosphate

>  <XlogP>
-2.500

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1=CC=C(C=C1)OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

>  <InChI Std. ID>
InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/p-2/t10-,12-,13-,14-/m1/s1

>  <InChI Key>
ZHUWBKDWWGKIEN-FMKGYKFTSA-L

