I1N
Summary
| Name: | (2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE |
| Formula: | C6 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 178.14 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexanone |
| OpenEye OEToolkits | 1.5.0 | (2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(O)C(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H](O)[C@H](O)C(=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O)C(=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(C(=O)C(C1O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | VYEGBDHSGHXOGT-REJXVDBHSA-N |
