UAH
Summary
| Name: | (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
| Synonyms: | 4'-deformyl pyidoxal phosphote |
| Formula: | C7 H10 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 219.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
| OpenEye OEToolkits | 2.0.4 | (6-methyl-5-oxidanyl-pyridin-3-yl)methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ncc(cc1O)COP(O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H10NO5P/c1-5-7(9)2-6(3-8-5)4-13-14(10,11)12/h2-3,9H,4H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | CKIPHKBHPIDPOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)cc1O |
| SMILES | CACTVS | 3.385 | Cc1ncc(CO[P](O)(O)=O)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(cc(cn1)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(cc(cn1)COP(=O)(O)O)O |
