
 CHEMBL604267

 62 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL604267

>  <PubChem CID>
46226462

>  <Formula>
C16H26N2O16P2

>  <Molecular Weight>
564.330000

>  <IUPAC Name>
[[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

>  <XlogP>
-6.0

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
C1C(C(C(C1N2C=CC(=O)NC2=O)O)O)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC(=O)NC2=O)O)O)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

>  <InChI Std. ID>
InChI=1S/C16H26N2O16P2/c19-4-8-12(23)13(24)14(25)15(32-8)33-36(29,30)34-35(27,28)31-5-6-3-7(11(22)10(6)21)18-2-1-9(20)17-16(18)26/h1-2,6-8,10-15,19,21-25H,3-5H2,(H,27,28)(H,29,30)(H,17,20,26)/t6-,7-,8-,10-,11+,12-,13+,14-,15-/m1/s1

>  <InChI Key>
JUTMSBQQIVKFPF-HGDXWQACSA-N

