
 CHEMBL505403

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL505403

>  <PubChem CID>
135528590

>  <Formula>
C19H27N7O21P4

>  <Molecular Weight>
813.348000

>  <IUPAC Name>
[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

>  <XlogP>
-8.6

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O

>  <InChI Std. ID>
InChI=1S/C19H27N7O21P4/c20-18-23-15-12(16(31)24-18)21-6-26(15)11-3-7(27)8(43-11)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-9-13(29)14(30)17(44-9)25-2-1-10(28)22-19(25)32/h1-2,6-9,11,13-14,17,27,29-30H,3-5H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,22,28,32)(H3,20,23,24,31)/t7-,8+,9+,11+,13+,14+,17+/m0/s1

>  <InChI Key>
FZOKIFDNPVZUQG-DBBURVGMSA-N

