P25
Summary
| Name: | PENTYL TRIHYDROGEN DIPHOSPHATE |
| Formula: | C5 H14 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 248.108 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pentyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | pentyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OCCCCC)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCO[P@](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCCCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCO[P@@](=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCOP(=O)(O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H14O7P2/c1-2-3-4-5-11-14(9,10)12-13(6,7)8/h2-5H2,1H3,(H,9,10)(H2,6,7,8) |
| InChIKey | InChI | 1.03 | VFFCVKZHJFIUBM-UHFFFAOYSA-N |
