INS
Summary
| Name: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE |
| Synonyms: | MYO-INOSITOL |
| Formula: | C6 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 180.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol |
| OpenEye OEToolkits | 1.5.0 | cyclohexane-1,2,3,4,5,6-hexol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OC1C(O)C(O)C(O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1(C(C(C(C(C1O)O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(C(C(C1O)O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| InChIKey | InChI | 1.03 | CDAISMWEOUEBRE-GPIVLXJGSA-N |
