5LD
Summary
| Name: | [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid |
| Synonyms: | (R)-C348 |
| Formula: | C5 H10 N3 O4 P |
| Formal charge: | 0 |
| Formula weight: | 207.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid |
| OpenEye OEToolkits | 1.9.2 | [(2R)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OP(O)(CC(O)Cn1ncnc1)=O |
| InChI | InChI | 1.03 | InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | ZXKJPBBOMRHTCH-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](Cn1cncn1)C[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](Cn1cncn1)C[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ncn(n1)C[C@H](CP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ncn(n1)CC(CP(=O)(O)O)O |
