
 CHEMBL1083258

 60 62  0  0  0  0  0  0  0  0999 V2000
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    1.1142   -2.6189   10.2762 O   0  0  0  0  0
    2.0389   -3.2837    9.4212 C   0  0  0  0  0
    3.4059   -3.4313   10.0825 C   0  0  0  0  0
    3.3524   -4.0834   11.4756 C   0  0  0  0  0
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    4.6759   -2.1293   11.5125 C   0  0  0  0  0
    4.0011   -2.1183   10.2397 O   0  0  0  0  0
    4.9634   -0.7862   11.9956 N   0  0  0  0  0
    4.4822    0.3452   11.3664 C   0  0  0  0  0
    4.7840    1.5743   11.7938 C   0  0  0  0  0
    5.6498    1.7259   12.9732 C   0  0  0  0  0
    5.9835    2.8327   13.3766 O   0  0  0  0  0
    6.0531    0.5650   13.5637 N   0  0  0  0  0
    5.7800   -0.7009   13.1174 C   0  0  0  0  0
    6.2608   -1.6771   13.6902 O   0  0  0  0  0
    2.5725   -2.2258   12.8076 O   0  0  0  0  0
    4.3191   -5.1376   11.5331 O   0  0  0  0  0
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   -9.0114   -1.6411   10.1009 H   0  0  0  0  0
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   -6.6619   -1.8194    7.1759 H   0  0  0  0  0
   -8.3455   -1.5284    7.6303 H   0  0  0  0  0
   -5.9164    0.2147    8.2818 H   0  0  0  0  0
   -7.2399    0.6101    7.1931 H   0  0  0  0  0
   -5.3332   -5.1537   10.8828 H   0  0  0  0  0
   -3.0710    0.0269   12.2999 H   0  0  0  0  0
   -0.6942   -1.4719    7.7895 H   0  0  0  0  0
    2.1335   -2.7023    8.4977 H   0  0  0  0  0
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    3.8519    0.2083   10.4921 H   0  0  0  0  0
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    6.6565    0.6419   14.3669 H   0  0  0  0  0
    2.2034   -1.8181   11.9971 H   0  0  0  0  0
    4.2423   -5.5556   12.4125 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
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  3 40  1  0  0  0
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  4  7  1  0  0  0
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  5  6  1  0  0  0
  5 43  1  0  0  0
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  6 45  1  0  0  0
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  7  8  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1083258

>  <PubChem CID>
46830493

>  <Formula>
C15H25N2O15P3

>  <Molecular Weight>
566.285000

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

>  <XlogP>
-3.500

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
C1CCC(CC1)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O

>  <Isomeric SMILES>
C1CCC(CC1)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O

>  <InChI Std. ID>
InChI=1S/C15H25N2O15P3/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(29-14)8-28-33(22,23)31-35(26,27)32-34(24,25)30-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,26,27)(H,16,18,21)/t10-,12-,13-,14-/m1/s1

>  <InChI Key>
DVFLQGLJTBCMRN-FMKGYKFTSA-N

