VON
(3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid
Created: | 2023-03-21 |
Last modified: | 2024-01-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 4 |
Bond Count | 23 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid |
Formula | C6 H11 N O5 |
Molecular Weight | 177.155 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O[CH]1NC[CH]([CH](O)[CH]1O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(N1)O)O)O)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | O[C@H]1NC[C@@H]([C@H](O)[C@@H]1O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]([C@@H]([C@H](N1)O)O)O)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C6H11NO5/c8-3-2(6(11)12)1-7-5(10)4(3)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4-,5+/m0/s1 |
InChIKey | InChI | 1.06 | ZIPHSWANMLXHEB-NEEWWZBLSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 53241596 |