KVM
Summary
| Name: | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid |
| Formula: | C4 H6 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 195.067 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid |
| OpenEye OEToolkits | 2.0.6 | [(3~{S})-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(=O)C1CC(N(O)C1=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | DIVWAHZZQUETIB-REOHCLBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)C[C@@H](C1=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | ON1C(=O)C[CH](C1=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(=O)N(C1=O)O)P(=O)(O)O |
