PSX
Summary
| Name: | [(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID |
| Formula: | C7 H17 O5 P |
| Formal charge: | 0 |
| Formula weight: | 212.181 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2S,3R,4S)-2,4-dihydroxy-3-methylhexyl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(2S,3R,4S)-2,4-dihydroxy-3-methyl-hexyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)CC(O)C(C(O)CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](O)[C@@H](C)[C@H](O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](O)[CH](C)[CH](O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C(C)C(CP(=O)(O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H17O5P/c1-3-6(8)5(2)7(9)4-13(10,11)12/h5-9H,3-4H2,1-2H3,(H2,10,11,12)/t5-,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | SBJOFBHUNGKURT-DSYKOEDSSA-N |
