P23
Summary
| Name: | PROPYL TRIHYDROGEN DIPHOSPHATE |
| Formula: | C3 H10 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 220.055 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | propyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | phosphono propyl hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OP(=O)(OCCC)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCO[P@](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | CCCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCO[P@@](=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCOP(=O)(O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H10O7P2/c1-2-3-9-12(7,8)10-11(4,5)6/h2-3H2,1H3,(H,7,8)(H2,4,5,6) |
| InChIKey | InChI | 1.03 | JCWMAIAFQQTSAX-UHFFFAOYSA-N |
