HQ8
Summary
| Name: | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol |
| Formula: | C6 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 164.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | IMPKVMRTXBRHRB-MBMOQRBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1C[CH](O)[CH](O)C(O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(C(C(C(C1O)O)O)O)O |
