3PB
Summary
| Name: | (3R)-3-(phosphonooxy)butanoic acid |
| Formula: | C4 H9 O6 P |
| Formal charge: | 0 |
| Formula weight: | 184.084 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-(phosphonooxy)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-phosphonooxybutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OC(CC(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](CC(O)=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](CC(O)=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CC(=O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H9O6P/c1-3(2-4(5)6)10-11(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | CEWUUYVGYVJSGW-GSVOUGTGSA-N |
