
 FUTP

 44 45  0  0  0  0  0  0  0  0999 V2000
   -2.5619   -0.3186    4.1624 C   0  0  0  0  0
   -2.1403   -0.1936    5.4209 C   0  0  0  0  0
   -1.0310   -1.0281    5.9082 C   0  0  0  0  0
   -0.5991   -0.9609    7.0526 O   0  0  0  0  0
   -0.5106   -1.8925    4.9795 N   0  0  0  0  0
   -0.9282   -2.0368    3.6790 C   0  0  0  0  0
   -0.3916   -2.8626    2.9460 O   0  0  0  0  0
   -1.9866   -1.2268    3.2854 N   0  0  0  0  0
   -2.4077   -1.2956    1.8798 C   0  0  0  0  0
   -2.9016   -2.6833    1.3949 C   0  0  0  0  0
   -3.8833   -2.2770    0.3064 C   0  0  0  0  0
   -4.5404   -1.0722    0.9822 C   0  0  0  0  0
   -3.4744   -0.3490    1.6262 O   0  0  0  0  0
   -5.3242   -0.1441    0.0705 C   0  0  0  0  0
   -6.4150   -0.8515   -0.4919 O   0  0  0  0  0
   -7.3911   -0.0937   -1.5103 P   0  0  0  0  0
   -8.5404   -0.9064   -2.0039 O   0  0  0  0  0
   -7.9240    1.1436   -0.6380 O   0  0  0  0  0
   -6.4873    0.5975   -2.6132 O   0  0  0  0  0
   -5.5987   -0.2407   -3.6318 P   0  0  0  0  0
   -4.7537   -1.2925   -2.9931 O   0  0  0  0  0
   -6.6634   -0.8035   -4.6816 O   0  0  0  0  0
   -4.8295    0.8852   -4.4442 O   0  0  0  0  0
   -3.9169    0.6507   -5.7066 P   0  0  0  0  0
   -3.3628    1.8765   -6.3494 O   0  0  0  0  0
   -2.7639   -0.3617   -5.2901 O   0  0  0  0  0
   -4.7868   -0.1989   -6.7423 O   0  0  0  0  0
   -3.1444   -1.9130   -0.8616 O   0  0  0  0  0
   -3.6046   -3.4098    2.4147 O   0  0  0  0  0
   -2.6871    0.6877    6.2787 F   0  0  0  0  0
   -3.3708    0.3051    3.8029 H   0  0  0  0  0
    0.2524   -2.4759    5.2793 H   0  0  0  0  0
   -1.5574   -0.9756    1.2637 H   0  0  0  0  0
   -2.0842   -3.3083    1.0214 H   0  0  0  0  0
   -4.6024   -3.0626    0.0541 H   0  0  0  0  0
   -5.2125   -1.4291    1.7743 H   0  0  0  0  0
   -4.6821    0.2680   -0.7148 H   0  0  0  0  0
   -5.6979    0.7066    0.6507 H   0  0  0  0  0
   -8.8592    0.9941   -0.4014 H   0  0  0  0  0
   -6.2660   -1.4404   -5.3097 H   0  0  0  0  0
   -1.8796    0.0232   -5.4365 H   0  0  0  0  0
   -4.9743    0.3396   -7.5368 H   0  0  0  0  0
   -3.7746   -1.8536   -1.6166 H   0  0  0  0  0
   -2.9219   -3.7626    3.0133 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 39  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 40  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 41  1  0  0  0
 27 42  1  0  0  0
 28 43  1  0  0  0
 29 44  1  0  0  0
M  END

>  <Chemical Name>
FUTP

>  <PubChem CID>
10255482

>  <Formula>
C9H14FN2O15P3

>  <Molecular Weight>
502.130000

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

>  <XlogP>
-5.8

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F

>  <Isomeric SMILES>
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F

>  <InChI Std. ID>
InChI=1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1

>  <InChI Key>
AREUQFTVCMGENT-UAKXSSHOSA-N

