IUP

5-(HYDRO)PEROXOISOURATE

Created:2014-05-01
Last modified:  2014-10-29

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of IUP

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Chemical Component Summary

Name5-(HYDRO)PEROXOISOURATE
Systematic Name (OpenEye OEToolkits)(5S)-5-(dioxidanyl)-3,7-dihydropurine-2,6,8-trione
FormulaC5 H4 N4 O5
Molecular Weight200.109
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N=C1NC(=O)NC(=O)C1(OO)N2
SMILESCACTVS3.385OO[C]12NC(=O)N=C1NC(=O)NC2=O
SMILESOpenEye OEToolkits1.7.6C12=NC(=O)NC1(C(=O)NC(=O)N2)OO
Canonical SMILESCACTVS3.385 OO[C@@]12NC(=O)N=C1NC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.7.6 C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO
InChIInChI1.03 InChI=1S/C5H4N4O5/c10-2-5(14-13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/t5-/m0/s1
InChIKeyInChI1.03 XHKXPKDICPOLRC-YFKPBYRVSA-N

Related Resource References

Resource NameReference
PubChem 86208091