S70
Summary
| Name: | 3-HYDROXY-2-OXO-4-PHOPHONOXY- BUTYL)-PHOSPHONIC ACID |
| Formula: | C4 H10 O9 P2 |
| Formal charge: | 0 |
| Formula weight: | 264.064 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(3S)-3-hydroxy-2-oxo-4-(phosphonooxy)butyl]phosphonic acid |
| OpenEye OEToolkits | 1.5.0 | [(3S)-3-hydroxy-2-oxo-4-phosphonooxy-butyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(=O)CP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CO[P](O)(O)=O)C(=O)C[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)C(=O)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)CP(=O)(O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)CP(=O)(O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10O9P2/c5-3(1-13-15(10,11)12)4(6)2-14(7,8)9/h3,5H,1-2H2,(H2,7,8,9)(H2,10,11,12)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | ISHNYNQEXZYUQN-VKHMYHEASA-N |
