IYP
Summary
| Name: | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate |
| Formula: | C6 H11 N2 O6 P |
| Formal charge: | 0 |
| Formula weight: | 238.135 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [(2R,3S)-3-(1H-imidazol-5-yl)-2,3-bis(oxidanyl)propyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC(O)C(O)c1cncn1 |
| InChI | InChI | 1.03 | InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | HFYBTHCYPKEDQQ-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H](CO[P](O)(O)=O)[C@@H](O)c1[nH]cnc1 |
| SMILES | CACTVS | 3.370 | O[CH](CO[P](O)(O)=O)[CH](O)c1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)[C@@H]([C@@H](COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c([nH]cn1)C(C(COP(=O)(O)O)O)O |
