BHI
Summary
| Name: | 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE |
| Formula: | C5 H13 Br O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 343.003 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-4-bromo-3-hydroxy-3-methylbutyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | [(3R)-4-bromo-3-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@](O)(CBr)CCO[P@@](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[C](O)(CBr)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCOP(=O)(O)OP(=O)(O)O)(CBr)O |
| InChI | InChI | 1.03 | InChI=1S/C5H13BrO8P2/c1-5(7,4-6)2-3-13-16(11,12)14-15(8,9)10/h7H,2-4H2,1H3,(H,11,12)(H2,8,9,10)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | YKAYCWPQDPILSA-RXMQYKEDSA-N |
