
 CHEMBL1957440

 46 48  0  0  0  0  0  0  0  0999 V2000
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   -5.3511   -2.8092    2.2433 N   0  0  0  0  0
   -4.5392   -1.9689    2.9907 C   0  0  0  0  0
   -3.3871   -1.6777    2.6791 O   0  0  0  0  0
   -5.1070   -1.4533    4.1252 N   0  0  0  0  0
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   -3.6666   -4.0494   -1.3886 H   0  0  0  0  0
   -5.2396   -5.3001    2.5260 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1957440

>  <PubChem CID>
57384078

>  <Formula>
C16H18FN2O8P

>  <Molecular Weight>
416.298000

>  <IUPAC Name>
2-[(2R,3S,4R,5R)-5-[5-(4-fluorophenyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid

>  <XlogP>
-1.9

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=CC(=CC=C1C2=CN(C(=O)NC2=O)C3C(C(C(O3)CCP(=O)(O)O)O)O)F

>  <Isomeric SMILES>
C1=CC(=CC=C1C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CCP(=O)(O)O)O)O)F

>  <InChI Std. ID>
InChI=1S/C16H18FN2O8P/c17-9-3-1-8(2-4-9)10-7-19(16(23)18-14(10)22)15-13(21)12(20)11(27-15)5-6-28(24,25)26/h1-4,7,11-13,15,20-21H,5-6H2,(H,18,22,23)(H2,24,25,26)/t11-,12-,13-,15-/m1/s1

>  <InChI Key>
BJYSQYZVTPFKAR-RGCMKSIDSA-N

