0M7
Summary
| Name: | [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| Formula: | C7 H19 N O6 P2 |
| Formal charge: | 0 |
| Formula weight: | 275.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-(pentylamino)ethane-1,1-diyl]bis(phosphonic acid) |
| OpenEye OEToolkits | 1.7.6 | [2-(pentylamino)-1-phosphono-ethyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(CNCCCCC)P(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H19NO6P2/c1-2-3-4-5-8-6-7(15(9,10)11)16(12,13)14/h7-8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14) |
| InChIKey | InChI | 1.03 | YDYMUJPNPOBLGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCNCC([P](O)(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCNCC(P(=O)(O)O)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCNCC(P(=O)(O)O)P(=O)(O)O |
