PSE
Summary
| Name: | O-PHOSPHOETHANOLAMINE |
| Formula: | C3 H10 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 171.089 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-amino-3-hydroxypropyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [(2R)-2-amino-3-hydroxy-propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(N)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CO)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CO)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H](COP(=O)(O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(COP(=O)(O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | WDWYJNPKBKWDBL-GSVOUGTGSA-N |
