Summary
| Name: | 4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid |
| Synonyms: | DIGALACTURONIC ACID |
| Formula: | C12 H18 O13 |
| Formal charge: | 0 |
| Formula weight: | 370.264 Da |
| Component type: | saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxy-oxan-3-yl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)C2OC(O)C(O)C(O)C2OC1OC(C(=O)O)C(O)C(O)C1O |
| InChI | InChI | 1.02 | InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1 |
| InChIKey | InChI | 1.02 | IGSYEZFZPOZFNC-MMGXBETBSA-N |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@H]1O[C@@H]([C@H](O[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O |
| SMILES | CACTVS | 3.352 | O[CH]1O[CH]([CH](O[CH]2O[CH]([CH](O)[CH](O)[CH]2O)C(O)=O)[CH](O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)O)O)O)C(=O)O)O)O |
