
 CHEMBL509434

 75 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL509434

>  <PubChem CID>
24857827

>  <Formula>
C18H27N5O20P4S

>  <Molecular Weight>
789.384000

>  <IUPAC Name>
[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

>  <XlogP>
-7.8

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=S)O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=S)O)O)O

>  <InChI Std. ID>
InChI=1S/C18H27N5O20P4S/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(39-13)6-37-44(29,30)41-46(33,34)43-47(35,36)42-45(31,32)38-7-10-14(26)15(27)16(40-10)23-4-2-12(25)21-18(23)48/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,19,20,28)(H,21,25,48)/t8-,9+,10+,13+,14+,15+,16+/m0/s1

>  <InChI Key>
FYCRPTCGPHMUOQ-MIYUEGBISA-N

