
 CHEMBL1083261

 65 67  0  0  0  0  0  0  0  0999 V2000
   -9.9301   -1.1786    4.8776 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1083261

>  <PubChem CID>
46830784

>  <Formula>
C15H24IN2O20P3

>  <Molecular Weight>
772.177000

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

>  <XlogP>
-7.1

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
20

>  <Canonical SMILES>
C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O)I

>  <Isomeric SMILES>
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)I

>  <InChI Std. ID>
InChI=1S/C15H24IN2O20P3/c16-4-1-18(15(26)17-12(4)25)13-10(23)8(21)6(34-13)3-33-39(27,28)37-41(31,32)38-40(29,30)36-14-11(24)9(22)7(20)5(2-19)35-14/h1,5-11,13-14,19-24H,2-3H2,(H,27,28)(H,29,30)(H,31,32)(H,17,25,26)/t5-,6-,7-,8-,9+,10-,11-,13-,14-/m1/s1

>  <InChI Key>
FVASACQXQZBJAZ-DMXROQJNSA-N

