DO7
Summary
| Name: | [(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid |
| Synonyms: | Methylsulfoquinovoside |
| Formula: | C7 H14 O8 S |
| Formal charge: | 0 |
| Formula weight: | 258.246 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H14O8S/c1-14-7-6(10)5(9)4(8)3(15-7)2-16(11,12)13/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4-,5+,6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | UZKGZRGNYURGOF-ZFYZTMLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O |
