0M9
Summary
| Name: | [2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| Formula: | C5 H15 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 247.123 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(propylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.6 | [1-phosphono-2-(propylamino)ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(CNCCC)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H15NO6P2/c1-2-3-6-4-5(13(7,8)9)14(10,11)12/h5-6H,2-4H2,1H3,(H2,7,8,9)(H2,10,11,12) |
| InChIKey | InChI | 1.03 | YFFJUBPLIKXHAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCNCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCNCC(P(=O)(O)O)P(=O)(O)O |
