RB8
Summary
| Name: | 6-deoxy-6-sulfo-D-fructose |
| Synonyms: | [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid |
| Formula: | C6 H12 O8 S |
| Formal charge: | 0 |
| Formula weight: | 244.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12O8S/c7-2-6(10)5(9)4(8)3(14-6)1-15(11,12)13/h3-5,7-10H,1-2H2,(H,11,12,13)/t3-,4-,5+,6-/m1/s1 |
| InChIKey | InChI | 1.03 | QTQNAYQDKCBJTC-ARQDHWQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(O)O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O |
