DSK
Summary
| Name: | (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name) |
| Formula: | C12 H25 O9 S |
| Formal charge: | 1 |
| Formula weight: | 345.387 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2S,3R,4R,5S,6S)-7-[(1R,2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]heptane-1,2,3,4,5,6-hexol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.352 | OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)O)O)CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22-/m0/s1 |
| InChIKey | InChI | 1.03 | JWOANRNVWBCYDC-RRTSSKPOSA-N |
