GCB
Summary
| Name: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid |
| Synonyms: | D-GLUCARO-1,5-LACTONE |
| Formula: | C6 H8 O7 |
| Formal charge: | 0 |
| Formula weight: | 192.124 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1OC(C(=O)O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@H](OC(=O)[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](OC(=O)[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(OC(=O)C1O)C(=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,7-9H,(H,10,11)/t1-,2-,3+,4-/m0/s1 |
| InChIKey | InChI | 1.03 | YLKFQNUGXOLRNI-QDQPNEQZSA-N |
