YS8
Summary
| Name: | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid |
| Formula: | C4 H11 O4 P |
| Formal charge: | 0 |
| Formula weight: | 154.102 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-hydroxy-2-methylpropyl]phosphonic acid |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-2-methyl-1-oxidanyl-propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)C(O)P(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C4H11O4P/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H2,6,7,8)/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | NCSVFERDDBHVCB-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H](O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(O)P(=O)(O)O |
