TD3
Summary
| Name: | 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate |
| Formula: | C6 H14 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 243.152 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.0 | [2-[hydroxy(4-hydroxybutyl)amino]-2-oxo-ethyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(=O)N(O)CCCCO)(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | OCCCCN(O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | OCCCCN(O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CCO)CN(C(=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CCO)CN(C(=O)COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14NO7P/c8-4-2-1-3-7(10)6(9)5-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13) |
| InChIKey | InChI | 1.03 | XYJLIJWOOPZDNB-UHFFFAOYSA-N |
