PSK
Summary
| Name: | [(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID |
| Formula: | C7 H15 O4 P |
| Formal charge: | 0 |
| Formula weight: | 194.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (S)-[(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphinic acid |
| OpenEye OEToolkits | 1.5.0 | [(3R,4S)-4-hydroxy-3-methyl-2-oxo-hexyl]phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(C(O)CC)C)CP(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](O)[C@@H](C)C(=O)C[P@H](O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](O)[CH](C)C(=O)C[PH](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C(C)C(=O)CP(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | UXHVQAJQXZWLAW-RITPCOANSA-N |
