FIX
Summary
| Name: | D-fructuronic acid |
| Synonyms: | D-Fructuronate |
| Formula: | C6 H8 O7 |
| Formal charge: | 0 |
| Formula weight: | 192.124 Da |
| Component type: | D-SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-fructosuronic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4S)-2,3,4-trihydroxy-5,6-dioxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)C(O)C(=O)C=O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]([C@H](O)C(O)=O)[C@H](O)C(=O)C=O |
| SMILES | CACTVS | 3.341 | O[CH]([CH](O)C(O)=O)[CH](O)C(=O)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)C(=O)C(C(C(C(=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1,3-5,9-11H,(H,12,13)/t3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | VLFFNIKCNGLGIG-WISUUJSJSA-N |
