
 CHEMBL1199733

 55 57  0  0  0  0  0  0  0  0999 V2000
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   -0.6153  -10.3636    6.6084 N   0  0  0  0  0
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    0.8582   -6.3723   -1.6446 H   0  0  0  0  0
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    1.3740   -7.9193    6.3778 H   0  0  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  2 35  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1199733

>  <PubChem CID>
44627698

>  <Formula>
C15H24N2O12P2

>  <Molecular Weight>
486.307000

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

>  <XlogP>
-2.400

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
12

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

>  <InChI Std. ID>
InChI=1S/C15H24N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h6-7,9-10,12-14,19-20H,1-5,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1

>  <InChI Key>
ZKANYWGCBDYGBM-FMKGYKFTSA-N

