X15
Summary
| Name: | 1,3-BISPHOSPHOGLYCERIC ACID |
| Formula: | C3 H8 O10 P2 |
| Formal charge: | 0 |
| Formula weight: | 266.037 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-hydroxy-1-oxopropane-1,3-diyl bis[dihydrogen (phosphate)] |
| OpenEye OEToolkits | 1.6.1 | phosphono (2R)-2-hydroxy-3-phosphonooxy-propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.352 | O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | LJQLQCAXBUHEAZ-UWTATZPHSA-N |
