UKT
Summary
| Name: | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
| Synonyms: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
| Formula: | C7 H14 O5 |
| Formal charge: | 0 |
| Formula weight: | 178.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1 |
| InChIKey | InChI | 1.03 | RRGKETGQYFXIFR-CQOGJGKDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1[C@H](O)C[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(C1O)O)O)CO)O |
