CS2
Summary
| Name: | D-MANNONIC ACID |
| Synonyms: | D-MANNONATE |
| Formula: | C6 H12 O7 |
| Formal charge: | 0 |
| Formula weight: | 196.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | D-mannonic acid |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(O)C(O)C(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(C(C(=O)O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | RGHNJXZEOKUKBD-MBMOQRBOSA-N |
