A1BHZ
Summary
| Name: | (R)-pantaphos |
| Synonyms: | (2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid |
| Formula: | C5 H7 O8 P |
| Formal charge: | 0 |
| Formula weight: | 226.078 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-2-[(R)-hydroxy(phosphono)methyl]but-2-enedioic acid |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-2-[(~{R})-oxidanyl(phosphono)methyl]but-2-enedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)\C(=C/C(=O)O)C(O)P(=O)(O)O |
| InChI | InChI | 1.06 | InChI=1S/C5H7O8P/c6-3(7)1-2(4(8)9)5(10)14(11,12)13/h1,5,10H,(H,6,7)(H,8,9)(H2,11,12,13)/b2-1+/t5-/m1/s1 |
| InChIKey | InChI | 1.06 | HGGAWKPCOKYWSX-INIHDHCDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C(=C/C(O)=O)/C(O)=O)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](C(=CC(O)=O)C(O)=O)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(=C(/[C@H](O)P(=O)(O)O)\C(=O)O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(=C(C(O)P(=O)(O)O)C(=O)O)C(=O)O |
