
 dUTP

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.2195   -1.0051    0.8590 C   0  0  0  0  0
    2.3021    0.3449    1.5265 C   0  0  0  0  0
    2.6662    1.2973    0.3848 C   0  0  0  0  0
    3.1896    0.4991   -0.6999 O   0  0  0  0  0
    3.2396   -0.8675   -0.2620 C   0  0  0  0  0
    2.9794   -1.7739   -1.3743 N   0  0  0  0  0
    2.1449   -1.4054   -2.4123 C   0  0  0  0  0
    1.8538   -2.2349   -3.4168 C   0  0  0  0  0
    2.4391   -3.5832   -3.4145 C   0  0  0  0  0
    2.1961   -4.3810   -4.3115 O   0  0  0  0  0
    3.2451   -3.8778   -2.3541 N   0  0  0  0  0
    3.5225   -3.0497   -1.2971 C   0  0  0  0  0
    4.2002   -3.4559   -0.3554 O   0  0  0  0  0
    1.4804    2.1048   -0.1425 C   0  0  0  0  0
    0.3806    1.2609   -0.4674 O   0  0  0  0  0
   -0.8982    1.9464   -1.1608 P   0  0  0  0  0
   -2.0609    1.0334   -1.3614 O   0  0  0  0  0
   -1.2516    3.1303   -0.1451 O   0  0  0  0  0
   -0.3553    2.6644   -2.4648 O   0  0  0  0  0
   -1.2625    3.5368   -3.4308 P   0  0  0  0  0
   -1.8735    4.7323   -2.7795 O   0  0  0  0  0
   -0.2176    3.9623   -4.5679 O   0  0  0  0  0
   -2.2536    2.5396   -4.1584 O   0  0  0  0  0
   -3.3738    2.9875   -5.1808 P   0  0  0  0  0
   -4.3501    4.0203   -4.7448 O   0  0  0  0  0
   -2.6213    3.3378   -6.5415 O   0  0  0  0  0
   -4.0934    1.6151   -5.5735 O   0  0  0  0  0
    3.3601    0.3279    2.4884 O   0  0  0  0  0
    2.4532   -1.8470    1.5182 H   0  0  0  0  0
    1.2139   -1.1581    0.4507 H   0  0  0  0  0
    1.3870    0.6296    2.0543 H   0  0  0  0  0
    3.4608    1.9911    0.6827 H   0  0  0  0  0
    4.2526   -1.0425    0.1226 H   0  0  0  0  0
    1.7260   -0.4039   -2.3851 H   0  0  0  0  0
    1.2033   -1.9672   -4.2377 H   0  0  0  0  0
    3.6387   -4.8044   -2.3192 H   0  0  0  0  0
    1.7830    2.6505   -1.0424 H   0  0  0  0  0
    1.1621    2.8234    0.6194 H   0  0  0  0  0
   -2.2165    3.2111   -0.0133 H   0  0  0  0  0
    0.0203    4.9055   -4.4978 H   0  0  0  0  0
   -3.2424    3.6573   -7.2199 H   0  0  0  0  0
   -4.8163    1.4042   -4.9535 H   0  0  0  0  0
    3.0949   -0.2693    3.2108 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  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
M  END

>  <Chemical Name>
dUTP

>  <PubChem CID>
65070

>  <Formula>
C9H15N2O14P3

>  <Molecular Weight>
468.140000

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

>  <XlogP>
-5.500

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

>  <Isomeric SMILES>
C1[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/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

>  <InChI Key>
AHCYMLUZIRLXAA-SHYZEUOFSA-N

