XIQ
Summary
| Name: | 2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one |
| Formula: | C7 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 188.135 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H8O6/c1-12-6-5(10)4(9)3(2-8)13-7(6)11/h8-9,11H,2H2,1H3 |
| InChIKey | InChI | 1.06 | GVIOTWHHRIHYQC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC1=C(O)OC(=C(O)C1=O)CO |
| SMILES | CACTVS | 3.385 | COC1=C(O)OC(=C(O)C1=O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC1=C(OC(=C(C1=O)O)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1=C(OC(=C(C1=O)O)CO)O |
