
 Acyclo-UTP

 38 38  0  0  0  0  0  0  0  0999 V2000
   -1.3736   -0.3395   -1.1775 C   0  0  0  0  0
   -0.8408    0.8247   -1.5560 C   0  0  0  0  0
    0.5246    1.0096   -1.6305 N   0  0  0  0  0
    1.4218    0.0101   -1.2779 C   0  0  0  0  0
    2.6429    0.1078   -1.3535 O   0  0  0  0  0
    0.8579   -1.1644   -0.8502 N   0  0  0  0  0
   -0.4752   -1.4483   -0.8168 C   0  0  0  0  0
   -0.9177   -2.5513   -0.5239 O   0  0  0  0  0
    1.0553    2.2830   -2.0821 C   0  0  0  0  0
    0.9138    3.2319   -1.0264 O   0  0  0  0  0
    1.5452    4.4683   -1.3697 C   0  0  0  0  0
    1.6578    5.3480   -0.1274 C   0  0  0  0  0
    2.3242    4.6952    0.9420 O   0  0  0  0  0
    3.8944    4.4027    0.8492 P   0  0  0  0  0
    4.3693    3.5944   -0.3080 O   0  0  0  0  0
    4.5255    5.8787    0.8108 O   0  0  0  0  0
    4.3129    3.8985    2.2920 O   0  0  0  0  0
    3.6772    2.6347    3.0104 P   0  0  0  0  0
    4.0421    1.2936    2.4648 O   0  0  0  0  0
    4.2302    2.7929    4.5066 O   0  0  0  0  0
    2.1240    2.9045    3.1502 O   0  0  0  0  0
    1.0978    1.8381    3.7017 P   0  0  0  0  0
    1.3206    1.3181    5.0784 O   0  0  0  0  0
   -0.3297    2.5092    3.4459 O   0  0  0  0  0
    1.0564    0.6808    2.6030 O   0  0  0  0  0
   -2.4382   -0.5198   -1.1254 H   0  0  0  0  0
   -1.4686    1.6665   -1.8318 H   0  0  0  0  0
    1.4969   -1.9085   -0.6193 H   0  0  0  0  0
    0.4871    2.6175   -2.9588 H   0  0  0  0  0
    2.1085    2.1833   -2.3659 H   0  0  0  0  0
    0.9410    4.9765   -2.1293 H   0  0  0  0  0
    2.5372    4.2832   -1.7904 H   0  0  0  0  0
    0.6541    5.5913    0.2364 H   0  0  0  0  0
    2.1650    6.2888   -0.3628 H   0  0  0  0  0
    5.4582    5.8450    0.5286 H   0  0  0  0  0
    4.7982    2.0397    4.7568 H   0  0  0  0  0
   -0.4925    2.6096    2.4906 H   0  0  0  0  0
    1.7541    0.0123    2.7589 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  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 28  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 35  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 36  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 37  1  0  0  0
 25 38  1  0  0  0
M  END

>  <Chemical Name>
Acyclo-UTP

>  <PubChem CID>
451387

>  <Formula>
C7H13N2O13P3

>  <Molecular Weight>
426.103000

>  <IUPAC Name>
[2-[(2,4-dioxopyrimidin-1-yl)methoxy]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

>  <XlogP>
-4.8

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
13

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

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

>  <InChI Std. ID>
InChI=1S/C7H13N2O13P3/c10-6-1-2-9(7(11)8-6)5-19-3-4-20-24(15,16)22-25(17,18)21-23(12,13)14/h1-2H,3-5H2,(H,15,16)(H,17,18)(H,8,10,11)(H2,12,13,14)

>  <InChI Key>
JUBHTBGOUQPPKQ-UHFFFAOYSA-N

