2JD
Summary
| Name: | (2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid |
| Formula: | C6 H13 O7 P |
| Formal charge: | 0 |
| Formula weight: | 228.137 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(C(O)C(=O)O)(C)C)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13O7P/c1-6(2,4(7)5(8)9)3-13-14(10,11)12/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | SVZWVVFMSSSVKX-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CO[P](O)(O)=O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(CO[P](O)(O)=O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)(COP(=O)(O)O)[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)(COP(=O)(O)O)C(C(=O)O)O |
