H6P
Summary
| Name: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate |
| Formula: | C5 H12 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 262.092 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.2 | [(E)-3-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OC\C=C(/C)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/b5-2+ |
| InChIKey | InChI | 1.03 | MDSIZRKJVDMQOQ-GORDUTHDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C\C(CO)=C/CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(CO)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)/CO |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(=CCOP(=O)(O)OP(=O)(O)O)CO |
