
 CHEMBL604700

 59 61  0  0  0  0  0  0  0  0999 V2000
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  -11.3635   -0.1465    5.5021 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL604700

>  <PubChem CID>
46226457

>  <Formula>
C15H24N2O16P2

>  <Molecular Weight>
550.303000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,6S)-3,4,6-trihydroxyoxan-2-yl]methyl hydrogen phosphate

>  <XlogP>
-5.900

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
C1C(C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O

>  <Isomeric SMILES>
C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C15H24N2O16P2/c18-6-3-10(20)31-7(11(6)21)4-29-34(25,26)33-35(27,28)30-5-8-12(22)13(23)14(32-8)17-2-1-9(19)16-15(17)24/h1-2,6-8,10-14,18,20-23H,3-5H2,(H,25,26)(H,27,28)(H,16,19,24)/t6-,7-,8-,10+,11+,12-,13-,14-/m1/s1

>  <InChI Key>
IRZRNCFVALDRHM-YUOHPPGCSA-N

