M8C
Summary
| Name: | methyl alpha-D-galactopyranuronate |
| Synonyms: | ALPHA-D-GALACTOPYRANURONIC METHYL ESTER (2S,3R,4S,5R,6S)-METHYL 3,4,5,6-TETRAHYDROXY-TETRAHYDRO-2H-PYRAN-2-CARBOXYLATE |
| Formula: | C7 H12 O7 |
| Formal charge: | 0 |
| Formula weight: | 208.166 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl alpha-D-galactopyranuronate |
| OpenEye OEToolkits | 1.5.0 | methyl (2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate |
| PDB-CARE | 1.0 | a-D-GalpA6OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)C1OC(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | COC(=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)C1C(C(C(C(O1)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | DICCNWCUKCYGNF-KGJVWPDLSA-N |
