0U8
Summary
| Name: | (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol |
| Formula: | C12 H20 O10 |
| Formal charge: | 0 |
| Formula weight: | 324.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,4R,5S,6S,7R,10R,11S,12S)-1,7-bis(hydroxymethyl)-2,8,13,14-tetraoxatricyclo[8.2.1.1~4,7~]tetradecane-5,6,11,12-tetrol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O1CC3OC(OCC2OC1(CO)C(O)C2O)(CO)C(O)C3O |
| InChI | InChI | 1.03 | InChI=1S/C12H20O10/c13-3-11-10(18)8(16)6(22-11)2-20-12(4-14)9(17)7(15)5(21-12)1-19-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | WMUHBTATSZQNJG-TWOHWVPZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@]12OC[C@H]3O[C@@](CO)(OC[C@@H](O1)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]3O |
| SMILES | CACTVS | 3.370 | OC[C]12OC[CH]3O[C](CO)(OC[CH](O1)[CH](O)[CH]2O)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C2C(C(C(O2)(OCC3C(C(C(O1)(O3)CO)O)O)CO)O)O |
