EA2
Summary
| Name: | AMINOETHANOLPYROPHOSPHATE |
| Formula: | C2 H9 N O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 221.043 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-aminoethyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | 2-aminoethyl phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(OP(=O)(OCCN)O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCO[P@](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | NCCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CO[P@@](=O)(O)OP(=O)(O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(COP(=O)(O)OP(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C2H9NO7P2/c3-1-2-9-12(7,8)10-11(4,5)6/h1-3H2,(H,7,8)(H2,4,5,6) |
| InChIKey | InChI | 1.03 | VOBNSQKMDIOJTQ-UHFFFAOYSA-N |
