XSP
Summary
| Name: | (2R)-3-oxo-2-(phosphonooxy)propanoic acid |
| Synonyms: | D-tartronate semialdehyde 2-phosphate |
| Formula: | C3 H5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 184.041 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-oxo-2-(phosphonooxy)propanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-oxidanylidene-2-phosphonooxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OC(C=O)C(=O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | KBLQTRXAGCIRPZ-UWTATZPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H](O[P](O)(O)=O)C=O |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](O[P](O)(O)=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=O)[C@H](C(=O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=O)C(C(=O)O)OP(=O)(O)O |
