QE8
Summary
| Name: | (1~{R},2~{R},3~{R},4~{S},5~{R})-4-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol |
| Formula: | C14 H26 O9 |
| Formal charge: | 0 |
| Formula weight: | 338.351 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-[[(1~{S},2~{S},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl]oxymethyl]cyclohexane-1,2,3,5-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H26O9/c15-3-5-1-9(13(21)14(22)10(5)18)23-4-6-7(16)2-8(17)12(20)11(6)19/h5-22H,1-4H2/t5-,6+,7-,8-,9+,10-,11-,12-,13-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | MMLZDIWCSZCWBQ-JKSPTNTFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1C[C@H](OC[C@H]2[C@H](O)C[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1C[CH](OC[CH]2[CH](O)C[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC[C@H]2[C@@H](C[C@H]([C@H]([C@@H]2O)O)O)O)O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C(C1OCC2C(CC(C(C2O)O)O)O)O)O)O)CO |
