GU1
Summary
| Name: | 2,3-di-O-methyl-beta-D-glucopyranuronic acid |
| Synonyms: | 2,3-di-O-methyl-beta-D-glucuronic acid 2,3-di-O-methyl-D-glucuronic acid; 2,3-di-O-methyl-glucuronic acid |
| Formula: | C8 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 222.193 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 2,3-di-O-methyl-beta-D-glucopyranuronic acid |
| OpenEye OEToolkits | 1.6.1 | (2S,3S,4S,5R,6R)-3,6-dihydroxy-4,5-dimethoxy-oxane-2-carboxylic acid |
| PDB-CARE | 1.0 | b-D-GlcpAOMe3OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C1OC(O)C(OC)C(OC)C1O |
| SMILES_CANONICAL | CACTVS | 3.352 | CO[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1OC)C(O)=O |
| SMILES | CACTVS | 3.352 | CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC1C(C(OC(C1OC)O)C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3-,4-,5-,6+,8+/m0/s1 |
| InChIKey | InChI | 1.03 | YEGNNGDFCAGXPA-GRJZWZNASA-N |
