MCU
Summary
| Name: | methyl 4-O-methyl-beta-D-glucopyranuronate |
| Synonyms: | methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate |
| Formula: | C8 H14 O7 |
| Formal charge: | 0 |
| Formula weight: | 222.193 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 4-O-methyl-beta-D-glucopyranuronate |
| OpenEye OEToolkits | 1.7.6 | methyl (2S,3S,4R,5R,6R)-3-methoxy-4,5,6-tris(oxidanyl)oxane-2-carboxylate |
| PDB-CARE | 1.0 | b-D-GlcpA4OMe6OMe |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C1OC(O)C(O)C(O)C1OC |
| InChI | InChI | 1.03 | InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1 |
| InChIKey | InChI | 1.03 | MKGHDZIEKZPBCZ-ULQPCXBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(=O)OC |
| SMILES | CACTVS | 3.370 | CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC1C(C(C(OC1C(=O)OC)O)O)O |
