
 CHEMBL604676

 60 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL604676

>  <PubChem CID>
46226447

>  <Formula>
C15H24N2O17P2

>  <Molecular Weight>
566.302000

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

>  <XlogP>
-6.9

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)(CO)O)O)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@](O3)(CO)O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C15H24N2O17P2/c18-5-15(25)12(23)10(21)7(33-15)4-31-36(28,29)34-35(26,27)30-3-6-9(20)11(22)13(32-6)17-2-1-8(19)16-14(17)24/h1-2,6-7,9-13,18,20-23,25H,3-5H2,(H,26,27)(H,28,29)(H,16,19,24)/t6-,7-,9-,10-,11-,12+,13-,15-/m1/s1

>  <InChI Key>
XWMUTPRESJRRGT-HWEKWTFHSA-N

