6BM
Summary
| Name: | [(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid |
| Formula: | C5 H10 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 195.11 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid |
| OpenEye OEToolkits | 2.0.4 | [(3~{S})-1-oxidanyl-2-oxidanylidene-piperidin-3-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1(O)CCCC(C1=O)P(O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | DVZQUMSQEGOYMX-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1CCC[C@@H](C1=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON1CCC[CH](C1=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C1C[C@@H](C(=O)N(C1)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | C1CC(C(=O)N(C1)O)P(=O)(O)O |
