4NG
Summary
| Name: | [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid |
| Formula: | C4 H8 N O6 P |
| Formal charge: | 0 |
| Formula weight: | 197.083 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(3S,5S)-1,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(CC(N1O)O)P(O)(=O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C4H8NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2-3,6,8H,1H2,(H2,9,10,11)/t2-,3-/m0/s1 |
| InChIKey | InChI | 1.03 | CGWBGDOPBYWJKZ-HRFVKAFMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1C[C@@H](C(=O)N1O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](C(=O)N1O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1C(C(=O)N(C1O)O)P(=O)(O)O |
