IVO

(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

Created:2022-07-20
Last modified:  2022-12-07

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count4
Bond Count26
Aromatic Bond Count5
2D diagram of IVO

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Chemical Component Summary

Name(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
FormulaC8 H10 N2 O5
Molecular Weight214.175
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O
SMILESOpenEye OEToolkits2.0.7c1cn2c(n1)C(C(C(C2C(=O)O)O)O)O
Canonical SMILESCACTVS3.385 O[C@H]1[C@H](O)[C@H](n2ccnc2[C@@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O
InChIInChI1.06 InChI=1S/C8H10N2O5/c11-4-3(8(14)15)10-2-1-9-7(10)6(13)5(4)12/h1-6,11-13H,(H,14,15)/t3-,4+,5-,6+/m0/s1
InChIKeyInChI1.06 YLDYISMFCJKSRS-BGPJRJDNSA-N

Related Resource References

Resource NameReference
PubChem 156010086
ChEMBL CHEMBL4650593