
 5-fluorouridine diphosphate

 39 40  0  0  0  0  0  0  0  0999 V2000
   -1.0052    1.2561    0.6478 C   0  0  0  0  0
    0.2674    1.5470    0.9170 C   0  0  0  0  0
    1.3005    0.5046    0.7833 C   0  0  0  0  0
    2.4888    0.7115    1.0001 O   0  0  0  0  0
    0.8304   -0.7230    0.3944 N   0  0  0  0  0
   -0.4737   -1.0415    0.1114 C   0  0  0  0  0
   -0.7759   -2.1857   -0.2166 O   0  0  0  0  0
   -1.3958   -0.0101    0.2423 N   0  0  0  0  0
   -2.7885   -0.3146   -0.1017 C   0  0  0  0  0
   -3.4776   -1.3575    0.8089 C   0  0  0  0  0
   -4.9314   -0.9252    0.7138 C   0  0  0  0  0
   -4.7851    0.5979    0.6940 C   0  0  0  0  0
   -3.6005    0.8826   -0.0837 O   0  0  0  0  0
   -5.9700    1.3810    0.1399 C   0  0  0  0  0
   -6.1522    1.1031   -1.2446 O   0  0  0  0  0
   -7.3885    1.8364   -1.9616 P   0  0  0  0  0
   -8.6824    1.7611   -1.2255 O   0  0  0  0  0
   -6.8210    3.3289   -2.1224 O   0  0  0  0  0
   -7.3739    1.3140   -3.4604 O   0  0  0  0  0
   -7.4944   -0.2231   -3.8140 P   0  0  0  0  0
   -6.4154   -1.0998   -3.2786 O   0  0  0  0  0
   -8.9672   -0.6855   -3.4365 O   0  0  0  0  0
   -7.5340   -0.2593   -5.4108 O   0  0  0  0  0
   -5.5256   -1.4909   -0.4502 O   0  0  0  0  0
   -3.0519   -1.2571    2.1761 O   0  0  0  0  0
    0.6630    2.7743    1.3017 F   0  0  0  0  0
   -1.7642    2.0247    0.7403 H   0  0  0  0  0
    1.5118   -1.4602    0.2968 H   0  0  0  0  0
   -2.8045   -0.6735   -1.1390 H   0  0  0  0  0
   -3.3127   -2.3837    0.4647 H   0  0  0  0  0
   -5.5252   -1.2463    1.5754 H   0  0  0  0  0
   -4.5804    0.9518    1.7128 H   0  0  0  0  0
   -5.7764    2.4540    0.2434 H   0  0  0  0  0
   -6.8818    1.1289    0.6906 H   0  0  0  0  0
   -5.9734    3.3536   -2.5994 H   0  0  0  0  0
   -9.0686   -1.6542   -3.4351 H   0  0  0  0  0
   -6.6624   -0.4839   -5.7843 H   0  0  0  0  0
   -5.5202   -0.8467   -1.1874 H   0  0  0  0  0
   -2.2358   -1.7859    2.2443 H   0  0  0  0  0
  1  8  1  0  0  0
  1  2  2  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 28  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 29  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  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 35  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 36  1  0  0  0
 23 37  1  0  0  0
 24 38  1  0  0  0
 25 39  1  0  0  0
M  END

>  <Chemical Name>
5-fluorouridine diphosphate

>  <PubChem CID>
10432343

>  <Formula>
C9H13FN2O12P2

>  <Molecular Weight>
422.151000

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

>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
13

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

>  <InChI Std. ID>
InChI=1S/C9H13FN2O12P2/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(23-8)2-22-26(20,21)24-25(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1

>  <InChI Key>
FOZCNVFQOJRHFF-UAKXSSHOSA-N

