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 | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 4 |
Bond Count | 26 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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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 |
Formula | C8 H10 N2 O5 |
Molecular Weight | 214.175 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O[CH]1[CH](O)[CH](n2ccnc2[CH]1O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cn2c(n1)C(C(C(C2C(=O)O)O)O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@H]1[C@H](O)[C@H](n2ccnc2[C@@H]1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O |
InChI | InChI | 1.06 | 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 |
InChIKey | InChI | 1.06 | YLDYISMFCJKSRS-BGPJRJDNSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 156010086 |
ChEMBL | CHEMBL4650593 |