EIP
Summary
| Name: | 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE |
| Formula: | C5 H14 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 264.107 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-4-hydroxy-3-methylbutyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | [(3S)-4-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OCCC(CO)C)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](CO)CCO[P@@](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](CO)CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCOP(=O)(O)OP(=O)(O)O)CO |
| InChI | InChI | 1.03 | InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | URURINNTPGGDIV-YFKPBYRVSA-N |
