
 CHEMBL484295

 49 50  0  0  0  0  0  0  0  0999 V2000
   -0.4325   -0.9896   -0.6495 C   0  0  0  0  0
    0.2791    0.1340   -0.7395 C   0  0  0  0  0
    0.4709    0.9797    0.3398 N   0  0  0  0  0
   -0.0663    0.6849    1.5883 C   0  0  0  0  0
    0.0449    1.3905    2.5929 O   0  0  0  0  0
   -0.7958   -0.4743    1.6631 N   0  0  0  0  0
   -1.0366   -1.3442    0.6417 C   0  0  0  0  0
   -1.7119   -2.3570    0.7694 O   0  0  0  0  0
    1.2915    2.1769    0.1489 C   0  0  0  0  0
    0.6171    3.5586    0.3082 C   0  0  0  0  0
    1.8499    4.4210    0.5671 C   0  0  0  0  0
    2.7163    3.4879    1.4288 C   0  0  0  0  0
    2.4270    2.1310    1.0276 O   0  0  0  0  0
    4.2196    3.7226    1.3380 C   0  0  0  0  0
    4.5555    5.0276    1.7735 O   0  0  0  0  0
    6.0917    5.4734    1.6180 P   0  0  0  0  0
    7.0873    4.4722    2.0955 O   0  0  0  0  0
    6.2200    5.7719    0.0537 O   0  0  0  0  0
    6.1492    6.9013    2.3025 O   0  0  0  0  0
    7.4796    7.7222    2.5558 P   0  0  0  0  0
    8.3091    8.0762    1.3636 O   0  0  0  0  0
    6.9160    9.0078    3.3295 O   0  0  0  0  0
    8.2738    6.9569    3.6946 O   0  0  0  0  0
    9.7071    7.4458    4.1698 P   0  0  0  0  0
    9.7689    8.7376    4.9047 O   0  0  0  0  0
   10.2432    6.2128    5.0343 O   0  0  0  0  0
   10.6405    7.3506    2.8810 O   0  0  0  0  0
    2.4749    4.7199   -0.6876 O   0  0  0  0  0
   -0.3605    3.6673    1.3812 N   0  0  0  0  0
   -1.2335    4.7011    1.4647 C   0  0  0  0  0
   -1.3127    5.6125    0.6560 O   0  0  0  0  0
   -2.0274    4.6225    2.5578 N   0  0  0  0  0
   -0.5881   -1.6648   -1.4804 H   0  0  0  0  0
    0.7392    0.4104   -1.6849 H   0  0  0  0  0
   -1.1963   -0.7028    2.5591 H   0  0  0  0  0
    1.7227    2.1391   -0.8609 H   0  0  0  0  0
    0.1090    3.8307   -0.6248 H   0  0  0  0  0
    1.6488    5.3682    1.0784 H   0  0  0  0  0
    2.3957    3.5813    2.4742 H   0  0  0  0  0
    4.5770    3.5607    0.3145 H   0  0  0  0  0
    4.7385    2.9913    1.9687 H   0  0  0  0  0
    6.5805    5.0069   -0.4318 H   0  0  0  0  0
    6.4016    8.7899    4.1273 H   0  0  0  0  0
   11.0899    6.4306    5.4636 H   0  0  0  0  0
   10.4261    8.0277    2.2042 H   0  0  0  0  0
    1.9901    5.4795   -1.0647 H   0  0  0  0  0
   -0.2102    3.1049    2.2182 H   0  0  0  0  0
   -2.2315    3.7084    2.9353 H   0  0  0  0  0
   -2.7818    5.2959    2.5865 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  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 35  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  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 42  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 43  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
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 27 45  1  0  0  0
 28 46  1  0  0  0
 29 30  1  0  0  0
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 32 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL484295

>  <PubChem CID>
44586005

>  <Formula>
C10H17N4O15P3

>  <Molecular Weight>
526.180000

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

>  <XlogP>
-6.400

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=O)N

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)NC(=O)N

>  <InChI Std. ID>
InChI=1S/C10H17N4O15P3/c11-9(17)13-6-7(16)4(27-8(6)14-2-1-5(15)12-10(14)18)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4,6-8,16H,3H2,(H,22,23)(H,24,25)(H3,11,13,17)(H,12,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1

>  <InChI Key>
FJFHGGAQNNVYRH-XVFCMESISA-N

