REL
Summary
| Name: | D-glucuronic acid |
| Synonyms: | D-Glucuronate alpha-D-glucofuranuronic acid |
| Formula: | C6 H10 O7 |
| Formal charge: | 0 |
| Formula weight: | 194.139 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | D-glucuronic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)C(O)C(O)C(O)C=O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | IAJILQKETJEXLJ-QTBDOELSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(=O)C(C(C(C(C(=O)O)O)O)O)O |
